2,3-Dihydroxybutanoic acid
PubChem CID: 250402
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| Compound Synonyms | 2,3-dihydroxybutanoic acid, 3413-97-6, 4-deoxy-erythronic acid, 2,3-dihydroxy-butanoic acid, CHEBI:86347, DTXSID40862402, 759-06-8, 4-deoxy-Erythronate, (2R,3S)-2,3-dihydroxybutyric acid, NSC69870, 2,3-dihydroxybutanoate, NCIOpen2_000377, SCHEMBL242912, DTXCID60811174, FAA05793, LMFA01050397, NSC-69870, NSC109150, NSC181495, AKOS006378224, NSC-109150, NSC-181495, NS00123254, Q27159093 |
|---|---|
| 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 | CCCC=O)O))O))O |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydroxybutanoic acid |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.1 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8O4 |
| Inchi Key | LOUGYXZSURQALL-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 4-Deoxy-erythronic acid, 4-Deoxy-erythronate, 2,3-Dihydroxybutanoate, 2,3-dihydroxybutanoic acid |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 2,3-Dihydroxybutanoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 120.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 120.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 120.1 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8) |
| Smiles | CC(C(C(=O)O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Sugar acids and derivatives |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Hesperethusa Crenulata (Plant) Rel Props:Reference:ISBN:9788185042138