14-Hydroxytetradecanoic acid
PubChem CID: 3084276
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| Compound Synonyms | 14-hydroxytetradecanoic acid, 17278-74-9, 14-hydroxymyristic acid, Tetradecanoic acid, 14-hydroxy-, omega-hydroxy myristic acid, 14-hydroxy-tetradecanoic acid, omega-hydroxymyristic acid, 14-hydroxytetradecanoicacid, omega-hydroxytetradecanoic acid, SCHEMBL150421, 14-Hydroxymyristic acid, 95%, CHEBI:77168, DTXSID30169396, C14H28O3, LMFA01050044, MFCD19707605, AKOS022181289, s10578, DS-16398, DB-345655, CS-0161824, Q27146732 |
|---|---|
| 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 | OCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-hydroxytetradecanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H28O3 |
| Inchi Key | JOSXCARTDOQGLV-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | 14-hydroxytetradecanoic acid |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 14-Hydroxytetradecanoic acid |
| Exact Mass | 244.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H28O3/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14(16)17/h15H,1-13H2,(H,16,17) |
| Smiles | C(CCCCCCC(=O)O)CCCCCCO |
| 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 Pinus Roxburghii (Plant) Rel Props:Reference:ISBN:9788172362461