Basic information
- CAS
1990-07-4- Standard SMILES
CC(C)(CO)C(O)C(=O)NCCCC(=O)[O-].CC(C)(CO)C(O)C(=O)NCCCC(=O)[O-].[Ca+2]- InChIKey
OVXZVDMCQPLHIY-UHFFFAOYSA-L- Molecular formula
- C20H36CaN2O10
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.1995862
Names & identifiers
- Preferred name
- Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt,
- IUPAC
- calcium bis(4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoate)
Names & synonyms
Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt,RefChem:1080482calcium bis{4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoate}1990-07-4Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (2:1)Butyric acid, 4-(2,4-dihydroxy-3,3-dimethylbutyramido)-, calcium salt (2:1) (8CI)SCHEMBL11037926calcium;4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]butanoateAKOS005287311Butanoic acid, 4-((2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-, calcium salt (2:1)Calcium 4-(2,4-dihydroxy-3,3-dimethylbutanamido)butanoate
Database identifiers
- CAS
1990-07-4- PubChem CID
- 16144
Properties
Computed structural properties
- Topological polar surface area
- 219 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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