1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-2-one
Basic information
- CAS
72346-25-9- Standard SMILES
O=c1nc2nc[nH]c2cn1C1OC(CO)C(O)C1O- InChIKey
DHMZKZSNUKYFTK-UHFFFAOYSA-N- Molecular formula
- C10H12N4O5
- Average molar mass
- 268.23 g/mol
- Monoisotopic mass
- 268.0807695
Names & identifiers
- Preferred name
- 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-2-one
- IUPAC
- 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-2-one
Names & synonyms
72346-25-91-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purin-2-oneNSC522402DTXSID90325971ZINC01605206NSC-5224021-Pentofuranosyl-1,7-dihydro-2H-purin-2-one
Database identifiers
- CAS
72346-25-9- PubChem CID
- 351601
- DTXSID
DTXSID90325971
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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