Basic information
- Standard SMILES
Nc1ncnc2c1c(-c1ncc[nH]1)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O- InChIKey
PKJCGKCSNXUVJJ-AKAIJSEGSA-N- Molecular formula
- C14H16N6O4
- Average molar mass
- 332.31 g/mol
- Monoisotopic mass
- 332.12330301
Names & identifiers
- Preferred name
- 4-Amino-5-(1H-imidazol-2-yl)-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine
- IUPAC
- (2R,3R,4S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
CHEMBL1814780SCHEMBL16968480PKJCGKCSNXUVJJ-AKAIJSEGSA-NBDBM503502094-Amino-5-(1H-imidazol-2-yl)-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine5-(1HImidazol-2-yl)-7-|A-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine(2R,3R,4S,5R)-2-[4-amino-5-(1H-imidazol-2-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol1252858-41-5
Database identifiers
- PubChem CID
- 49784203
- ChEMBL
CHEMBL1814780
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 459
Related reactions
1 records
Compound notes
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