Viridifloric acid
PubChem CID: 159814
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| Compound Synonyms | Viridifloric acid, 17233-93-1, (+)-Viridifloric acid, (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoic acid, 8TY3Q7PAB9, (2R,3R)-Viridifloric Acid, Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (R-(R*,R*))-, (2R,3R)-2,3-dihydroxy-2-(1-methylethyl)butanoic acid, CCRIS 9200, Viridifloric acid, (+)-, Butanoic acid, 2,3-dihydroxy-2-(1-methylethyl)-, (2R,3R)-, UNII-8TY3Q7PAB9, Oprea1_244262, DTXSID801030935, VIRIDIFLORINOIC ACID, (+)-, AKOS006331598, (+)-(2'R,3'R)-VIRIDIFLORIC ACID, Q27896291, BUTYRIC ACID, 2,3-DIHYDROXY-2-ISOPROPYL-, (2R,3R)- |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | CC[C@]C=O)O))[C@H]O)C))O))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]-3-methylbutanoic acid |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H14O4 |
| Inchi Key | KXEISHUBUXWXGY-IYSWYEEDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | necine acid |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | Viridifloric acid |
| Exact Mass | 162.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 162.18 |
| 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/C7H14O4/c1-4(2)7(11,5(3)8)6(9)10/h4-5,8,11H,1-3H3,(H,9,10)/t5-,7-/m1/s1 |
| Smiles | C[C@H]([C@](C(C)C)(C(=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 Heliotropium Indicum (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075