4,6-Dihydroxy-5-(pentan-2-yl)-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one--calcium (2/1)
Basic information
- CAS
80584-93-6- Standard SMILES
C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O.C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O.[Ca]- InChIKey
FTWGBYVYEJVLJR-UHFFFAOYSA-N- Molecular formula
- C24H36CaN4O6
- Average molar mass
- 516.6 g/mol
- Monoisotopic mass
- 516.2260757
Names & identifiers
- Preferred name
- 4,6-Dihydroxy-5-(pentan-2-yl)-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one--calcium (2/1)
Names & synonyms
FTWGBYVYEJVLJR-UHFFFAOYSA-NDTXSID5010013294,6-Dihydroxy-5-(pentan-2-yl)-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one--calcium (2/1)
Database identifiers
- CAS
80584-93-6- PubChem CID
- 53472071
- DTXSID
DTXSID501001329
Properties
Computed structural properties
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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