Basic information
- CAS
111265-76-0- Standard SMILES
O=c1c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2nc2n1C[C@H](Br)[C@H](O)N2- InChIKey
DBHDGKBHUAWSDZ-MHWORFBCSA-N- Molecular formula
- C13H16BrN5O5
- Average molar mass
- 402.2 g/mol
- Monoisotopic mass
- 401.03348
Names & identifiers
- Preferred name
- Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-cis)-
- IUPAC
- (6S,7S)-7-bromo-6-hydroxy-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
Names & synonyms
111265-76-0Pyrimido(1,2-a)purin-10(3H)-one, 7-bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-6-hydroxy-, (6S-cis)-DTXSID20912090(6S,7S)-7-Bromo-3-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one7-Bromo-3-(2-deoxypentofuranosyl)-6-hydroxy-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
Database identifiers
- CAS
111265-76-0- PubChem CID
- 183240
- DTXSID
DTXSID20912090
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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