Basic information
- CAS
84502-40-9- Standard SMILES
CP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O- InChIKey
PXSSQXBLDTZHLF-UHFFFAOYSA-N- Molecular formula
- C11H16N5O6P
- Average molar mass
- 345.25 g/mol
- Monoisotopic mass
- 345.08382024
Names & identifiers
- Preferred name
- 9-{5-o-[Hydroxy(methyl)phosphoryl]pentofuranosyl}-9h-purin-6-amine
- IUPAC
- [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-methylphosphinic acid
Names & synonyms
9-{5-o-[hydroxy(methyl)phosphoryl]pentofuranosyl}-9h-purin-6-amine84502-40-9DTXSID001004780
Database identifiers
- CAS
84502-40-9- PubChem CID
- 4131
- DTXSID
DTXSID001004780
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 166 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…