(9Z,12Z,15R)-15-Hydroxy-9,12-octadecadienoic acid
PubChem CID: 45934094
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| Compound Synonyms | Avenoleic acid, 177931-23-6, (9Z,12Z,15R)-15-hydroxyoctadeca-9,12-dienoic acid, DTXSID601233662, 15R-hydroxy-9Z,12Z-octadecadienoic acid, AvenoleicAcid, (9Z,12Z,15R)-15-Hydroxy-9,12-octadecadienoic acid, 15(r)-hydroxylinoleic acid, 15(R)-Hydroxy-9(Z),12(Z)-octadecadienoic acid, CHEBI:165773, DTXCID001664861, LMFA02000054, (R,9Z,12Z)-15-Hydroxyoctadeca-9,12-dienoic acid, Q54857757, 978-137-9 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9Z,12Z,15R)-15-hydroxyoctadeca-9,12-dienoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 5.1 |
| Molecular Formula | C18H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MZQXAWAWDWCIKG-SPSBLGDNSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -3.602 |
| Rotatable Bond Count | 14.0 |
| Logd | 1.847 |
| Compound Name | (9Z,12Z,15R)-15-Hydroxy-9,12-octadecadienoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 296.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 296.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 296.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.294596199999999 |
| Inchi | InChI=1S/C18H32O3/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18(20)21/h4,6,10,12,17,19H,2-3,5,7-9,11,13-16H2,1H3,(H,20,21)/b6-4-,12-10-/t17-/m1/s1 |
| Smiles | CCC[C@H](C/C=C\C/C=C\CCCCCCCC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients