2-Hydroxypalmitic acid
PubChem CID: 92836
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| Compound Synonyms | 2-Hydroxyhexadecanoic acid, 2-Hydroxypalmitic acid, 764-67-0, Hexadecanoic acid, 2-hydroxy-, 2-hydroxy-hexadecanoic acid, 10067-06-8, B5R9PI06KD, .alpha.-Hydroxypalmitic acid, DL-alpha-Hydroxypalmitic acid, 2-hydroxy palmitic acid, NSC 2097, NSC-2097, alpha-Hydroxypalmitic acid, EINECS 212-129-1, MFCD00014343, CHEBI:65101, DL-2-HYDROXYPALMITIC ACID, (+/-)-2-hydroxyhexadecanoic acid, DL-2-HYDROXYHEXADECANOIC ACID, .ALPHA.-HYDROXYHEXADECANOIC ACID, (+/-)-.ALPHA.-HYDROXYPALMITIC ACID, C16H32O3, UNII-B5R9PI06KD, 2-HYDROXYHEXADECANOICACID, alpha-Hydroxypalmiticacid, 2-oxidanylhexadecanoic acid, SCHEMBL22842, alpha-hydroxyhexadecanoic acid, Hexadecanoic acid,2-hydroxy-, NSC2097, HY-N7814, LMFA01050047, AKOS016007457, FH30652, (+/-)-ALPHA-HYDROXYPALMITIC ACID, AS-58714, PD060926, DB-056065, CS-0138075, H0403, NS00042061, D84003, A845894, 2-Hydroxyhexadecanoic acid, >=98% (capillary GC), Q27133653, 2-Hydroxypalmitic acid, 2-Hydroxy-hexadecylcarboxylic acid, 212-129-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)O))O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Description | Occurs in wool fat, which is used as a chewing gum softener. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxyhexadecanoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H32O3 |
| Inchi Key | JGHSBPIZNUXPLA-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | 2-hydroxyhexadecanoic acid, palmitic acid, 2-hydroxy |
| Substituent Name | Long-chain fatty acid, Hydroxy fatty acid, Monosaccharide, Hydroxy acid, Alpha-hydroxy acid, Secondary alcohol, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 2-Hydroxypalmitic acid |
| Kingdom | Organic compounds |
| Exact Mass | 272.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 272.42 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19) |
| Smiles | CCCCCCCCCCCCCCC(C(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Stellaria Media (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Vigna Angularis (Plant) Rel Props:Reference:ISBN:9788185042114