(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-((pyridin-3-ylmethyl)amino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
Basic information
- CAS
101565-96-2- Standard SMILES
OC[C@H]1O[C@@H](n2cnc3c(NCc4cccnc4)ncnc32)[C@H](O)[C@@H]1O- InChIKey
OGGGQWLDZCHKIQ-XNIJJKJLSA-N- Molecular formula
- C16H18N6O4
- Average molar mass
- 358.35 g/mol
- Monoisotopic mass
- 358.13895308
Names & identifiers
- Preferred name
- (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-((pyridin-3-ylmethyl)amino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
- IUPAC
- (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(pyridin-3-ylmethylamino)purin-9-yl]oxolane-3,4-diol
Names & synonyms
101565-96-2CHEMBL364671(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-((pyridin-3-ylmethyl)amino)-9H-purin-9-yl)tetrahydrofuran-3,4-diolN-(3-Pyridinylmethyl)adenosineSCHEMBL6762195DTXSID801306718(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-{[(pyridin-3-yl)methyl]amino}-9H-purin-9-yl)oxolane-3,4-diolN-[(Pyridin-3-yl)methyl]adenosineBDBM50163024(2R,3S,4R,5R)-2-Hydroxymethyl-5-{6-[(pyridin-3-ylmethyl)-amino]-purin-9-yl}-tetrahydro-furan-3,4-diol
Database identifiers
- CAS
101565-96-2- PubChem CID
- 44401545
- DTXSID
DTXSID801306718- ChEMBL
CHEMBL364671
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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