Tartarate
PubChem CID: 3806114
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2,3-dihydroxybutanedioate, tartrate, 2,3-dihydroxysuccinate, Tartarate, (+) tartarate, tartrate(2-), (+)-2,3-dihydroxybutanedioate, CHEBI:30929, FEWJPZIEWOKRBE-UHFFFAOYSA-L, STL264250, AKOS022140137, (R*,R*)-(+-)-2,3-dihydroxybutanedioic acid, monoammonium monosodium salt, Q56702262 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 121.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Monosaccharides |
| Deep Smiles | OCCC=O)[O-]))O))C=O)[O-] |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Hydroxy acids and derivatives |
| Classyfire Subclass | Beta hydroxy acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 123.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3-dihydroxybutanedioate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | -0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H4O6-2 |
| Inchi Key | FEWJPZIEWOKRBE-UHFFFAOYSA-L |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | tartrates |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)[O-], CO |
| Compound Name | Tartarate |
| Exact Mass | 148.001 |
| Formal Charge | -2.0 |
| Monoisotopic Mass | 148.001 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 148.07 |
| Gi Absorption | False |
| 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/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2 |
| Smiles | C(C(C(=O)[O-])O)(C(=O)[O-])O |
| Np Classifier Biosynthetic Pathway | Carbohydrates |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Saccharides |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Reference:ISBN:9780387706375