Pyrimido(1,2-a)purin-10(3H)-one, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-8-hydroxy-6-methyl-, (6S,8S)-
Basic information
- CAS
85405-01-2- Standard SMILES
C[C@H]1C[C@H](O)n2c(nc3c(ncn3[C@@H]3C[C@H](O)[C@@H](CO)O3)c2=O)N1- InChIKey
DKBDYPZFCQIHPX-CIQUZCHMSA-N- Molecular formula
- C14H19N5O5
- Average molar mass
- 337.33 g/mol
- Monoisotopic mass
- 337.13861872
Names & identifiers
- Preferred name
- Pyrimido(1,2-a)purin-10(3H)-one, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-8-hydroxy-6-methyl-, (6S,8S)-
- IUPAC
- (6S,8S)-8-hydroxy-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-5,6,7,8-tetrahydropyrimido[1,2-a]purin-10-one
Names & synonyms
85405-01-2Pyrimido(1,2-a)purin-10(3H)-one, 3-(2-deoxy-beta-D-erythro-pentofuranosyl)-4,6,7,8-tetrahydro-8-hydroxy-6-methyl-, (6S,8S)-(6S,8S)-8-hydroxy-3-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10-oneDTXSID40234605(6S,8S)-3-(2-Deoxy-alpha-D-erythro-pentofuranosyl)-8-hydroxy-6-methyl-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
Database identifiers
- CAS
85405-01-2- PubChem CID
- 158757
- DTXSID
DTXSID40234605
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
- 560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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