Basic information
- Standard SMILES
CN(CCON)C[C@H]1O[C@@H](n2c(-c3ccccc3)nc3c(N)ncnc32)[C@H](O)[C@@H]1O.O=S(=O)(O)O- InChIKey
KXGRSGIYBWYVKF-CAUXPVPNSA-N- Molecular formula
- C19H27N7O8S
- Average molar mass
- 513.5 g/mol
Names & identifiers
- Preferred name
- 5'-[(2-Aminooxyethyl)methylamino]-5'-deoxy-8-phenyladenosine sulfate
- IUPAC
- (2R,3S,4R,5R)-2-[[2-aminooxyethyl(methyl)amino]methyl]-5-(6-amino-8-phenylpurin-9-yl)oxolane-3,4-diol;sulfuric acid
Names & synonyms
SCHEMBL956051CHEMBL453373KXGRSGIYBWYVKF-CAUXPVPNSA-N5'-[(2-Aminooxyethyl)methylamino]-5'-deoxy-8-phenyladenosine sulfate
Database identifiers
- PubChem CID
- 44564177
- ChEMBL
CHEMBL453373
Properties
Computed structural properties
- Topological polar surface area
- 241 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 636
Related reactions
1 records
Compound notes
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