Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C10H12CaN5O8P
- Molecular weight
- 401.28 g/mol
- IUPAC name
- calcium [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
- SMILES
- C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)NC(=NC2=O)N.[Ca+2]
- InChIKey
- KAFMRSAFJZENBN-GWTDSMLYSA-L
- Polar surface area
- 207 Ų
- H-bond donors
- 4
- H-bond acceptors
- 9
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 401.005
- Has use
- flavor enhancer
Show 3 more facts
- isomeric SMILES
- C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O)NC(=NC2=O)N.[Ca+2]
- canonical SMILES
- C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)NC(=NC2=O)N.[Ca+2]
- chemical formula
- C₁₀H₁₂CaN₅O₈P
Sources (1)
via Wikidata · CC0