Calcium 4-methyl-2-oxovalerateProduct ingredient for alpha-Ketoisocaproic acid
- Name
- Calcium 4-methyl-2-oxovalerate
- Drug Entry
- alpha-Ketoisocaproic acid
- Accession Number
- DBSALT003028
- Structure
Structure for Calcium 4-methyl-2-oxovalerate (DBSALT003028)
- Synonyms
- alpha-Ketoisocaproic acid calcium salt / alpha-Ketoleucine calcium / Calcium alpha-ketoisocaproate / Calcium alpha-oxoisocaproate / Calcium-methyl-2-oxovaleric acid
- UNII
- 5L325UH89S
- CAS Number
- 51828-95-6
- Weight
- Average: 298.348
Monoisotopic: 298.0729292 - Chemical Formula
- C12H18CaO6
- InChI Key
- WQZNGJIBHXYVNW-UHFFFAOYSA-L
- InChI
- InChI=1S/2C6H10O3.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
- IUPAC Name
- calcium bis(4-methyl-2-oxopentanoate)
- SMILES
- [Ca++].CC(C)CC(=O)C([O-])=O.CC(C)CC(=O)C([O-])=O
- External Links
- ChemSpider
- 3372566
- Predicted Properties
Property Value Source Water Solubility 0.0586 mg/mL ALOGPS logP 1.92 ALOGPS logP 1.5 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 3.53 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 42.6 m3·mol-1 Chemaxon Polarizability 12.58 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