Molecule FYI-1005595

A

Molecule Summary:

ID: FYI-1005595
Names:
InChIKey: GUBGYTABKSRVRQ-UHFFFAOYSA-N
SMILES: OCC2OC(OC1C(O)C(O)C(O)OC1CO)C(O)C(O)C2O

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005595 Edit

Molecule Structure InChIKey: GUBGYTABKSRVRQ-UHFFFAOYSA-N

Molecule Structure SMILES String: OCC2OC(OC1C(O)C(O)C(O)OC1CO)C(O)C(O)C2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005595
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.8000    0.0000 O   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
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   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
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 13  1  0  0  0  0
 17 12  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  1  0  0  0  0
 20  5  1  0  0  0  0
 21  4  1  0  0  0  0
 22  3  1  0  0  0  0
 23  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005595-3D
FYIcenter.com

 45 46  0  0  1  0  0  0  0  0999 V2000
    1.1179   -0.7122    0.4301 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4059   -0.1848    0.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7749   -0.3637   -1.3639 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9426    0.4230   -2.2315 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6182   -0.0783   -2.4096 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1333    0.8207   -3.2574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1080    2.1937   -2.7955 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8438    2.3940   -1.4462 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.4021    3.5920   -0.7803 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3755    2.4240   -1.5952 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.9828    2.8766   -0.3691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8028    3.3569   -2.7371 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5244    4.7087   -2.3745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1460    3.0137   -3.9499 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7256    3.1370   -3.8568 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.1533    2.9251   -5.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6728    3.9349   -6.1350 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6729   -1.4889   -3.0336 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3442   -1.4815   -4.3135 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693   -2.4159   -2.1027 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6236   -3.7179   -2.7003 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8616   -1.8266   -1.8227 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5933   -2.5963   -0.8630 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9358   -0.4689    1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1362   -0.6820    0.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3881    0.8812    0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7815    0.0602   -1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0764   -0.1450   -1.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9389    2.5005   -2.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6059    1.5997   -0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5891    4.3520   -1.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7364    1.4114   -1.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2572    3.0116    0.2734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8843    3.2831   -2.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9079    4.8006   -1.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4965    4.1802   -3.5845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4478    1.9584   -5.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9374    3.0101   -5.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6359    3.9539   -5.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3329   -1.8819   -3.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5109   -0.5439   -4.5330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9245   -2.5830   -1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8370   -3.5439   -3.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4427   -1.8704   -2.7535 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0558   -3.3826   -0.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 2080👍, 0💬