Calcium alpha-Keto-beta-methylvaleric acidProduct ingredient for alpha-Keto-beta-methylvaleric acid
- Name
- Calcium alpha-Keto-beta-methylvaleric acid
- Drug Entry
- alpha-Keto-beta-methylvaleric acid
- Accession Number
- DBSALT003026 (DB15829)
- Structure
Structure for Calcium alpha-Keto-beta-methylvaleric acid (DBSALT003026)
- Synonyms
- 3-methyl-2-oxovaleric acid calcium salt / Calcium 3-methyl-2-oxovaleric acid / Calcium DL-3-methyl-2-oxovalerate
- UNII
- V3JCR2C58B
- CAS Number
- 305808-15-5
- Weight
- Average: 298.348
Monoisotopic: 298.0729292 - Chemical Formula
- C12H18CaO6
- InChI Key
- PTFSVYLXDCGPFY-UHFFFAOYSA-L
- InChI
- InChI=1S/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
- IUPAC Name
- calcium bis(3-methyl-2-oxopentanoate)
- SMILES
- [Ca++].CCC(C)C(=O)C([O-])=O.CCC(C)C(=O)C([O-])=O
- External Links
- ChemSpider
- 3531213
- Predicted Properties
Property Value Source Water Solubility 0.06 mg/mL ALOGPS logP 2.44 ALOGPS logP 1.75 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 3.52 Chemaxon pKa (Strongest Basic) -9.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 57.2 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 42.63 m3·mol-1 Chemaxon Polarizability 12.56 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon