(E,32S)-tetratriacont-30-en-2,4,16,33-tetrayne-1,32-diol
PubChem CID: 162927483
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 770.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (E,32S)-tetratriacont-30-en-2,4,16,33-tetrayne-1,32-diol |
| Prediction Hob | 0.0 |
| Xlogp | 11.6 |
| Molecular Formula | C34H52O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WAHSICHAYKKWOI-OCFHQZTFSA-N |
| Fcsp3 | 0.7058823529411765 |
| Logs | -5.763 |
| Rotatable Bond Count | 23.0 |
| Logd | 4.351 |
| Compound Name | (E,32S)-tetratriacont-30-en-2,4,16,33-tetrayne-1,32-diol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 492.397 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 492.397 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 492.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -8.751285600000003 |
| Inchi | InChI=1S/C34H52O2/c1-2-34(36)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35/h1,30,32,34-36H,5-24,26,28,33H2/b32-30+/t34-/m1/s1 |
| Smiles | C#C[C@H](/C=C/CCCCCCCCCCCCC#CCCCCCCCCCCC#CC#CCO)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Pierrei (Plant) Rel Props:Source_db:cmaup_ingredients