3-Hydroxyhexadecanoic acid
PubChem CID: 301590
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| Compound Synonyms | 3-hydroxyhexadecanoic acid, 2398-34-7, 3-hydroxy-hexadecanoic acid, 928-17-6, 3-Hydroxypalmitic acid, Hexadecanoic acid,3-hydroxy-, beta-Hydroxyhexadecanoic acid, DL-beta-Hydroxypalmitic acid, Hexadecanoic acid, 3-hydroxy-, 20595-04-4, beta-Hydroxypalmitic acid, MFCD00171638, 3-?Hydroxy-hexadecanoic Acid, 3-HYDROXYHEXADECANOICACID, SCHEMBL310976, DL- beta -Hydroxypalmitic acid, DL-.beta.-Hydroxypalmitic acid, CHEBI:37248, ?-HYDROXYHEXADECANOIC ACID, DTXSID80946831, (+/-)-3-hydroxyhexadecanoic acid, LMFA01050188, NSC179484, AKOS024438254, DL-beta-Hydroxypalmitic acid, >=98%, NSC-179484, AS-59627, BP-29862, PD044275, Hexadecanoic acid, 3-hydroxy-, (+/-)-, DB-057332, Hexadecanoic acid, 3-hydroxy-, (A+/-)-, HY-131643, CS-0138121, F87673, A929893, Q27117078, A9897684-CABA-4D85-8749-EF6BF75EB0A0 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxyhexadecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C16H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CBWALJHXHCJYTE-UHFFFAOYSA-N |
| Fcsp3 | 0.9375 |
| Logs | -3.953 |
| Rotatable Bond Count | 14.0 |
| Logd | 2.691 |
| Compound Name | 3-Hydroxyhexadecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 272.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.240159799999998 |
| Inchi | InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19) |
| Smiles | CCCCCCCCCCCCCC(CC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients