6-(6,8-diaminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Basic information
- CAS
56973-14-9- Standard SMILES
Nc1ncnc2c1nc(N)n2C1OC2COP(=O)(O)OC2C1O- InChIKey
XKAQQTTUGGGUIZ-UHFFFAOYSA-N- Molecular formula
- C10H13N6O6P
- Average molar mass
- 344.22 g/mol
- Monoisotopic mass
- 344.06341915
Names & identifiers
- Preferred name
- 6-(6,8-diaminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
- IUPAC
- 6-(6,8-diaminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Names & synonyms
56973-14-9NSC288118NSC-288118(4aR,6R,7R,7aS)-6-(6,8-diamino-9H-purin-9-yl)-2,7-dihydroxy-hexahydro-2lambda-furo[3,2-d][1,3,2]dioxaphosphinin-2-one
Database identifiers
- CAS
56973-14-9- PubChem CID
- 324113
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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