(6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one
Basic information
- CAS
111189-88-9- Standard SMILES
O=c1c2[nH]cnc2nc2n1C[C@@H](O)[C@H](O)N2- InChIKey
ACUCINOUCPAFCF-CVYQJGLWSA-N- Molecular formula
- C8H9N5O3
- Average molar mass
- 223.19 g/mol
- Monoisotopic mass
- 223.07053917
Names & identifiers
- Preferred name
- (6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one
- IUPAC
- (6S,7R)-6,7-dihydroxy-5,6,7,8-tetrahydro-1H-pyrimido[1,2-a]purin-10-one
Names & synonyms
(6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydro-1H-pyrimido(1,2-a)purin-10-one111189-88-9DTXSID00149529(6S,7R)-6,7-Dihydroxy-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(1H)-one
Database identifiers
- CAS
111189-88-9- PubChem CID
- 183207
- DTXSID
DTXSID00149529
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…