(2R,3R,4S,5R)-2-[6-(3-Chloro-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Basic information
- CAS
23660-97-1- Standard SMILES
OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(Cl)c4)ncnc32)[C@H](O)[C@@H]1O- InChIKey
YRFQIOJJXMEZGA-LSCFUAHRSA-N- Molecular formula
- C17H18ClN5O4
- Average molar mass
- 391.8 g/mol
- Monoisotopic mass
- 391.1047318
Names & identifiers
- Preferred name
- (2R,3R,4S,5R)-2-[6-(3-Chloro-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
- IUPAC
- (2R,3R,4S,5R)-2-[6-[(3-chlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
23660-97-1CHEMBL193385(2R,3R,4S,5R)-2-(6-((3-Chlorobenzyl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol(2R,3R,4S,5R)-2-[6-[(3-chlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolSCHEMBL640534DTXSID30434733(2R,3R,4S,5R)-2-(6-{[(3-chlorophenyl)methyl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolBDBM50163028N-[(3-Chlorophenyl)methyl]adenosine(2R,3R,4S,5R)-2-[6-(3-Chloro-benzylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol(2R,3R,4S,5R)-2-(6-(3-chlorobenzylamino)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol
Database identifiers
- CAS
23660-97-1- PubChem CID
- 10046002
- DTXSID
DTXSID30434733- ChEMBL
CHEMBL193385
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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