2-(4-Aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
Basic information
- CAS
67377-76-8- Standard SMILES
CC(C)CSCC1OC(n2cnc3c(N)nccc32)C(O)C1O- InChIKey
XDBKDRRIZBSEDB-UHFFFAOYSA-N- Molecular formula
- C15H22N4O3S
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.14126175
Names & identifiers
- Preferred name
- 2-(4-Aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
- IUPAC
- 2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
Names & synonyms
NSC313172MLS003115923NSC-313172CHEMBL274366DTXSID60986654NCI60_002703SMR0018314851-[5-S-(2-Methylpropyl)-5-thiopentofuranosyl]-1,5-dihydro-4H-imidazo[4,5-c]pyridin-4-imine2-(5-amino-4,7,9-triazabicyclo[4.3.0]nona-2,4,7,10-tetraen-9-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol
Database identifiers
- CAS
67377-76-8- PubChem CID
- 329583
- DTXSID
DTXSID60986654- ChEMBL
CHEMBL274366
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
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Compound notes
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