4,12-Dihydroxy-pentadecanoic acid
PubChem CID: 5312758
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| Compound Synonyms | 4,12-dihydroxy-pentadecanoic acid, Turpetholic acid B, LMFA01050186 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCC=O)O))))O)))))))))O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 218.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,12-dihydroxypentadecanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H30O4 |
| Inchi Key | QGZOSDDYSABQFX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 13.0 |
| Synonyms | 4,12-dihydroxy-pentadecanoic acid |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 4,12-Dihydroxy-pentadecanoic acid |
| Exact Mass | 274.214 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 274.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H30O4/c1-2-8-13(16)9-6-4-3-5-7-10-14(17)11-12-15(18)19/h13-14,16-17H,2-12H2,1H3,(H,18,19) |
| Smiles | CCCC(CCCCCCCC(CCC(=O)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 Operculina Turpethum (Plant) Rel Props:Reference:ISBN:9788172361150