Basic information
- Standard SMILES
CC(C)(CO)[C@H](O)C(=O)NCCC(=O)[O-]- InChIKey
GHOKWGTUZJEAQD-SSDOTTSWSA-M- Molecular formula
- C9H16NO5-
- Average molar mass
- 218.23 g/mol
Names & identifiers
- Preferred name
- d-Pantothenate
- IUPAC
- 3-[[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoate
Names & synonyms
d-pantothenateGHOKWGTUZJEAQD-SSDOTTSWSA-M
Database identifiers
- PubChem CID
- 6997253
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- -1
- Complexity
- 233
Related reactions
1 records
Compound notes
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