Structure via PubChem · Public domain (PubChem)
Chemical data
- Formula
- C10H11CaN4O8P
- Molecular weight
- 386.27 g/mol
- IUPAC name
- calcium [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate
- SMILES
- C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.[Ca+2]
- InChIKey
- ZLHWLLPKQPKYJD-MCDZGGTQSA-L
- Polar surface area
- 181 Ų
- H-bond donors
- 3
- H-bond acceptors
- 9
- Formal charge
- 0
via PubChem
Wikidata facts
- Mass
- 385.994
- Has use
- flavor enhancer
Show 3 more facts
- canonical SMILES
- C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Ca+2]
- chemical formula
- C₁₀H₁₁CaN₄O₈P
- isomeric SMILES
- C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.[Ca+2]
Sources (1)
via Wikidata · CC0