Methyl 12-hydroxystearate
PubChem CID: 8840
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| Compound Synonyms | Methyl 12-hydroxyoctadecanoate, 141-23-1, METHYL 12-HYDROXYSTEARATE, Methyl hydroxystearate, Octadecanoic acid, 12-hydroxy-, methyl ester, Kemester 1288, 12-Hydroxystearic acid, methyl ester, Paracin 1, Methyl-12-hydroxystearate, NSC 2392, HSDB 5635, Stearic acid, 12-hydroxy-, methyl ester, EINECS 205-471-8, P7UC7KGL82, Methyl-12-hydroxyoctadecanoate, DTXSID8027086, 12-Hydroxyoctadecanoic acid, methyl ester, AI3-19731, NSC-2392, 12-Hydroxyoctadecanoic acid methyl ester, DTXCID507086, AEC METHYL HYDROXYSTEARATE, Octadecanoic acid, 12-hydroxy-, (R-(Z))-, METHYL 12-HYDROXYSTEARATE [HSDB], METHYL DL-12-HYDROXYOCTADECANOATE, (+/-)-METHYL 12-HYDROXYSTEARATE, METHYL 12-HYDROXYSTEARATE [USP-RS], METHYL 12-HYDROXYSTEARATE, (+/-)-, 12-Hydroxystearic acid methyl ester, METHYL 12-HYDROXYSTEARATE (USP-RS), UNII-P7UC7KGL82, 12-Hydroxyoctadecanoic acid methyl ester, 12-Hydroxyoctadecanoic acid methyl ester, Methyl 12-hydroxyoctadecanoate, Methyl 12-hydroxystearate, methyl 12-hydroxyoctadecanate, Methyl 12hydroxyoctadecanoate, Methyl12-hydroxyoctadecanoate, SCHEMBL293897, CHEMBL2139695, NSC2392, DTXCID401776676, DTXSID901347937, Methyl 12-hydroxystearate C18:0, 12Hydroxystearic acid, methyl ester, Tox21_303267, WLN: Q3Y6 & 10VO1, METHYL HYDROXYSTEARATE [INCI], AKOS015913955, HY-W127376, Stearic acid, 12hydroxy, methyl ester, 12Hydroxyoctadecanoic acid, methyl ester, NCGC00164387-01, NCGC00256944-01, CAS-141-23-1, Methyl 12-hydroxystearate, >=99% (GC), Octadecanoic acid, 12hydroxy, methyl ester, CS-0185613, NS00013857, G72491, Octadecanoic acid, 12-hydroxy-, (R-(Z))-(9CI), Q27286334, Methyl 12-hydroxystearate, European Pharmacopoeia (EP) Reference Standard, Methyl 12-hydroxystearate, United States Pharmacopeia (USP) Reference Standard, 205-471-8 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 241.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q07869 |
| Iupac Name | methyl 12-hydroxyoctadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 6.6 |
| Molecular Formula | C19H38O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RVWOWEQKPMPWMQ-UHFFFAOYSA-N |
| Fcsp3 | 0.9473684210526316 |
| Logs | -3.788 |
| Rotatable Bond Count | 17.0 |
| Logd | 1.376 |
| Compound Name | Methyl 12-hydroxystearate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.282 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.282 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 314.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.983461999999999 |
| Inchi | InChI=1S/C19H38O3/c1-3-4-5-12-15-18(20)16-13-10-8-6-7-9-11-14-17-19(21)22-2/h18,20H,3-17H2,1-2H3 |
| Smiles | CCCCCCC(CCCCCCCCCCC(=O)OC)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Spirodela Polyrhiza (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all