Molecule FYI-1005103

A

Molecule Summary:

ID: FYI-1005103
Names:
InChIKey: AUJRCFUBUPVWSZ-PJQDCIEHSA-M
SMILES: CCP(CC)(CC)=[Au]S[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Received at FYIcenter.com on: 2023-10-13

Molecule ID: FYI-1005103 Edit

Molecule Structure InChIKey: AUJRCFUBUPVWSZ-PJQDCIEHSA-M

Molecule Structure SMILES String: CCP(CC)(CC)=[Au]S[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005103
FYIcenter.com

 32 32  0  0  1  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 Au  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  6  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
  4 12  1  6  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
  3 16  1  1  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
  2 20  1  1  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
  1 24  1  1  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 26  1  0  0  0  0
 30 29  1  0  0  0  0
 31 26  1  0  0  0  0
 32 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005103-3D
FYIcenter.com

 66 66  0  0  1  0  0  0  0  0999 V2000
    0.1501    4.4434   10.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5454    4.8582    9.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4532    3.6717    8.7144 P   0  0  0  0  0  0  0  0  0  0  0  0
    3.9561    4.7293    8.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8950    5.7086    7.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6128    2.3865   10.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5267    1.3130    9.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5321    2.2617    7.4583 Au  0  0  0  0  0  0  0  0  0  0  0  0
    4.7276    0.6992    6.0663 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.4143    1.4107    6.0417 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1990    0.5430    5.2240 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5659    0.9325    5.1269 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3380    0.6983    6.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2845   -0.6315    6.8445 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1081   -1.6055    6.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0038   -2.9992    6.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9687   -1.3490    5.5394 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6845    2.3667    4.5459 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0227    2.7192    4.3849 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6118    2.9969    3.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0814    3.2654    3.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9542    3.0204    2.1497 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9104    3.3446    5.4575 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9886    4.6559    5.0131 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0171    5.5028    5.2916 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9241    6.9448    4.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0086    5.1133    5.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4287    2.8697    5.5137 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8272    2.9252    4.2608 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3609    4.0584    3.6618 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7837    4.0000    2.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3778    5.1296    4.2498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    5.3289   10.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1915    3.6636   11.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4617    4.1135    9.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1333    5.1597   10.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3959    5.7616    9.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437    4.0767    8.5369 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1067    5.2832    9.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8015    5.1553    6.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8257    6.3135    7.4791 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0322    6.3978    7.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6228    2.8320   11.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5895    1.8762    9.8815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130    1.7246   10.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6997    0.5389   10.6955 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5552    0.8221    8.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7695    1.3664    7.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0431    0.2670    4.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9240    1.3084    7.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3970    1.0163    6.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1795   -3.0781    7.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9575   -3.2796    7.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8113   -3.7040    6.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1753    2.3598    3.5561 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5546    3.2049    4.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2531    4.2773    2.6720 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5580    2.5157    2.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3162    3.3077    6.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9621    7.1470    4.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7640    7.2146    4.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9781    7.5742    5.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8510    3.4948    6.2244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    2.9687    1.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3370    4.6896    1.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    4.3048    2.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 36  1  0  0  0  0
  2 37  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  4 39  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  6 44  1  0  0  0  0
  7 45  1  0  0  0  0
  7 46  1  0  0  0  0
  7 47  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 48  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 12 49  1  6  0  0  0
 13 14  1  0  0  0  0
 13 50  1  0  0  0  0
 13 51  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 52  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 55  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 56  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 23 59  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 26 60  1  0  0  0  0
 26 61  1  0  0  0  0
 26 62  1  0  0  0  0
 28 29  1  0  0  0  0
 28 63  1  1  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
 31 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 2328👍, 0💬