Basic information
- Standard SMILES
Nc1nc(I)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1- InChIKey
FJCGPOOOYFDJCM-FJFJXFQQSA-N- Molecular formula
- C10H12IN5O4
- Average molar mass
- 393.14 g/mol
- Monoisotopic mass
- 392.9934
Names & identifiers
- Preferred name
- 9-beta-D-arabinofuranosyl-2-amino-6-iodo-9H-purine
- IUPAC
- (2R,3S,4S,5R)-2-(2-amino-6-iodopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
SCHEMBL6903672FJCGPOOOYFDJCM-FJFJXFQQSA-N9-beta-D-arabinofuranosyl-2-amino-6-iodo-9H-purine9-beta-D-arabinofuranosyl-2-amino-6-iodo-9 H-purine
Database identifiers
- PubChem CID
- 53802006
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Related reactions
2 records
Compound notes
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