Basic information
- CAS
13153-28-1- Standard SMILES
Nc1nc(SCc2ccccn2)c2ncn(C3OC(CO)C(O)C3O)c2n1- InChIKey
HXUKVSGGBZUOKA-UHFFFAOYSA-N- Molecular formula
- C16H18N6O4S
- Average molar mass
- 390.4 g/mol
- Monoisotopic mass
- 390.11102425
Names & identifiers
- Preferred name
- 2-[2-Amino-6-(pyridin-2-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
- IUPAC
- 2-[2-amino-6-(pyridin-2-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
13153-28-1MLS0026670492-[2-amino-6-(pyridin-2-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl) oxolane-3,4-diol2-[2-amino-6-(pyridin-2-ylmethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolNSC46385CHEMBL1880852DTXSID30286537HMS3087I06NSC-46385SMR0015568229-Pentofuranosyl-6-{[(pyridin-2-yl)methyl]sulfanyl}-9H-purin-2-amine
Database identifiers
- CAS
13153-28-1- PubChem CID
- 240286
- DTXSID
DTXSID30286537- ChEMBL
CHEMBL1880852
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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