Basic information
- CAS
42204-26-2- Standard SMILES
CN(C)C1C(O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO- InChIKey
CNRXXRJDMFDIEY-YEFCAQKCSA-N- Molecular formula
- C12H18N6O3
- Average molar mass
- 294.31 g/mol
- Monoisotopic mass
- 294.14403846
Names & identifiers
- Preferred name
- 9-[3-deoxy-3-(dimethylamino)pentofuranosyl]-9H-purin-6-amine
- IUPAC
- (2R,5S)-2-(6-aminopurin-9-yl)-4-(dimethylamino)-5-(hydroxymethyl)oxolan-3-ol
Names & synonyms
DTXSID109623679-[3-deoxy-3-(dimethylamino)pentofuranosyl]-9H-purin-6-amine9-[3-Deoxy-3-(dimethylamino)-beta-D-glycero-pentofuranosyl]-9H-purin-6-amine
Database identifiers
- CAS
42204-26-2- PubChem CID
- 39148
- DTXSID
DTXSID10962367
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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