(3S,28S)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol
PubChem CID: 162943597
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 528.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,28S)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol |
| Prediction Hob | 0.0 |
| Xlogp | 9.8 |
| Molecular Formula | C30H48O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XFALGIQXDHGEPT-LOYHVIPDSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -5.231 |
| Rotatable Bond Count | 22.0 |
| Logd | 4.59 |
| Compound Name | (3S,28S)-triaconta-4,15,26-trien-1,29-diyne-3,28-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.365 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.365 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 440.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 3.0 |
| Esol | -7.3259144 |
| Inchi | InChI=1S/C30H48O2/c1-3-29(31)27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30(32)4-2/h1-2,5-6,25-32H,7-24H2/t29-,30-/m1/s1 |
| Smiles | C#C[C@H](C=CCCCCCCCCCC=CCCCCCCCCCC=C[C@@H](C#C)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Pierrei (Plant) Rel Props:Source_db:cmaup_ingredients