Basic information
- Standard SMILES
COC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O- InChIKey
QFZYZNWVNVQKTI-SCFUHWHPSA-N- Molecular formula
- C18H20IN5O4
- Average molar mass
- 497.3 g/mol
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol
- IUPAC
- (2R,3R,4S,5R)-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diol
Names & synonyms
CHEMBL2113541QFZYZNWVNVQKTI-SCFUHWHPSA-Nn-(3-iodobenzyl)-5'-o-methyladenosine(2R,3R,4S,5R)-2-[6-[(3-iodophenyl)methylamino]purin-9-yl]-5-(methoxymethyl)oxolane-3,4-diolN6-(3-iodobenzyl)-5'-O-methyladenosine
Database identifiers
- PubChem CID
- 10345757
- ChEMBL
CHEMBL2113541- Nikkaji
- J1.600.165A
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 520
Related reactions
1 records
Compound notes
Loading…