(Z,3S,8S)-heptadec-9-en-4,6-diyne-1,3,8-triol
PubChem CID: 156021725
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4647869 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 385.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (Z,3S,8S)-heptadec-9-en-4,6-diyne-1,3,8-triol |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QAAUQTFTLRWKQQ-BEBBCNLGSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -3.605 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.064 |
| Compound Name | (Z,3S,8S)-heptadec-9-en-4,6-diyne-1,3,8-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 278.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 278.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 278.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.0132303999999994 |
| Inchi | InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-11-16(19)12-9-10-13-17(20)14-15-18/h8,11,16-20H,2-7,14-15H2,1H3/b11-8-/t16-,17+/m0/s1 |
| Smiles | CCCCCCC/C=C\[C@@H](C#CC#C[C@H](CCO)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oplopanax Horridus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients