2-(Hydroxymethyl)-6-imidazo[4,5-b]pyridin-3-yloxane-3,4,5-triol
Basic information
- CAS
7501-87-3- Standard SMILES
OCC1OC(n2cnc3cccnc32)C(O)C(O)C1O- InChIKey
DPXKQQIQPNMYJD-UHFFFAOYSA-N- Molecular formula
- C12H15N3O5
- Average molar mass
- 281.26 g/mol
- Monoisotopic mass
- 281.10117059
Names & identifiers
- Preferred name
- 2-(Hydroxymethyl)-6-imidazo[4,5-b]pyridin-3-yloxane-3,4,5-triol
- IUPAC
- 2-(hydroxymethyl)-6-imidazo[4,5-b]pyridin-3-yloxane-3,4,5-triol
Names & synonyms
7501-87-3NSC4030922-(hydroxymethyl)-6-imidazo[4,5-b]pyridin-3-yloxane-3,4,5-triolDTXSID80323123NSC-4030923-Hexopyranosyl-3H-imidazo[4,5-b]pyridine
Database identifiers
- CAS
7501-87-3- PubChem CID
- 345460
- DTXSID
DTXSID80323123
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
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Compound notes
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