Calcium 4-phospho-D-pantothenate
calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl)amino]propanoate
Also Known As: Calcium 4-phospho-D-pantothenate|Calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphonatooxy-butanoyl)amino]propanoate|calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl)amino]propanoate
CAS: 42355-86-2
| Molecular Formula | C9H15CaNO8P- |
|---|---|
| Molecular Weight | 336.0161 g/mol |
| LogP | -3.9058 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.0161 |
| Monoisotopic Mass | 336.0161 |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 42355-86-2 |
|---|---|
| SMILES | CC(C)(COP(=O)([O-])[O-])C(C(=O)NCCC(=O)[O-])O.[Ca+2] |
| InChIKey | GQSFAKGGGXTCJK-UHFFFAOYSA-K |
Product Overview
Calcium 4-phospho-D-pantothenate (CAS 42355-86-2), with molecular formula C9H15CaNO8P- and molecular weight 336.0161 g/mol. IUPAC: calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl)amino]propanoate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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