Basic information
- CAS
42355-86-2- Standard SMILES
CC(C)(COP(=O)([O-])[O-])C(O)C(=O)NCCC(=O)[O-].[Ca+2]- InChIKey
GQSFAKGGGXTCJK-UHFFFAOYSA-K- Molecular formula
- C9H15CaNO8P-
- Average molar mass
- 336.27 g/mol
- Monoisotopic mass
- 336.0161193
Names & identifiers
- Preferred name
- Calcium 4-phospho-D-pantothenate
- IUPAC
- calcium 3-[(2-hydroxy-3,3-dimethyl-4-phosphonatooxybutanoyl)amino]propanoate
Names & synonyms
Calcium 4-phospho-D-pantothenate42355-86-2
Database identifiers
- CAS
42355-86-2- PubChem CID
- 181733
Properties
Computed structural properties
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- -1
- Complexity
- 359
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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