alpha-Keto-isoleucine calciumProduct ingredient for alpha-Keto-isoleucine
- Name
- alpha-Keto-isoleucine calcium
- Drug Entry
- alpha-Keto-isoleucine
- Accession Number
- DBSALT003150
- Structure
Structure for alpha-Keto-isoleucine calcium (DBSALT003150)
- Synonyms
- Calcium (S)-3-methyl-2-oxovalerate / Calcium 3-methyl-2-oxo-pentanoate, (3s)-
- External IDs
- 257-458-1
- UNII
- 85RJ2N890T
- CAS Number
- 51828-96-7
- Weight
- Average: 298.348
Monoisotopic: 298.0729292 - Chemical Formula
- C12H18CaO6
- InChI Key
- PTFSVYLXDCGPFY-SCGRZTRASA-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/t2*4-;/m00./s1
- IUPAC Name
- calcium bis((3S)-3-methyl-2-oxopentanoate)
- SMILES
- [Ca++].CC[C@H](C)C(=O)C([O-])=O.CC[C@H](C)C(=O)C([O-])=O
- External Links
- ChemSpider
- 20082727
- Predicted Properties
Property Value Source logP 1.75 Chemaxon 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 12.67 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