potassium
PubChem CID: 23680511
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| Ghose Rule | False |
|---|---|
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Deep Smiles | OC[C@H][C@]C=O)[O-]))O)C))O.[K+] |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Organooxygen compounds |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | potassium, (2R,3R)-2,3,4-trihydroxy-2-methylbutanoate |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C5H9KO5 |
| Inchi Key | VHUQXBLLVWGAIB-MXQJLSQZSA-M |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | (2r,3r)-form-2,3,4-trihydroxy-2-methylbutanoic acid, |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)[O-], CO, [K+] |
| Compound Name | potassium, (2R,3R)-2,3,4-trihydroxy-2-methylbutanoate |
| Exact Mass | 188.009 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.009 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 188.22 |
| Gi Absorption | False |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C5H10O5.K/c1-5(10,4(8)9)3(7)2-6, /h3,6-7,10H,2H2,1H3,(H,8,9), /q, +1/p-1/t3-,5-, /m1./s1 |
| Smiles | C[C@@]([C@@H](CO)O)(C(=O)[O-])O.[K+] |
| 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 Phaseolus Vulgaris (Plant) Rel Props:Reference:https://doi.org/10.2174/0929867033456729