D-Calcium Pantothenate

Catalog	BBC137086
CAS	137-08-6
Structure
Synonyms	N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-alaninecalciumsalt
IUPAC Name	Calcium;3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
Molecular Weight	476.53
Molecular Formula	C9H17NO5.1/2Ca
Canonical SMILES	CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Ca+2]
InChI	InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1
InChI Key	FAPWYRCQGJNNSJ-UBKPKTQASA-L
Melting Point	190 °C
Purity	98%
Appearance	White powder
pH	6.8-7.2 (50g/L, H2O, 25°C)
Refractive Index	27 ° (C=5, H2O)
Solubility in Water	Soluble