9H-Purine, 2-((4-butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-, hydrate
Basic information
- CAS
104715-74-4- Standard SMILES
CCCCc1ccc(Nc2ncc3ncn([C@@H]4C[C@H](O)[C@@H](CO)O4)c3n2)cc1.O- InChIKey
IWCUOXHWGGVFSB-RXQQAGQTSA-N- Molecular formula
- C20H27N5O4
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.20630436
Names & identifiers
- Preferred name
- 9H-Purine, 2-((4-butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-, hydrate
- IUPAC
- (2R,3S,5S)-5-[2-(4-butylanilino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol;hydrate
Names & synonyms
9H-Purine, 2-((4-butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-, hydrate104715-74-42-(p-n-Butylanilino)-9-(2-deoxy-beta-D-ribofuranosyl)purine hydrate2-((4-Butylphenyl)amino)-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-9H-purine hydrateDTXSID80146677N-(4-Butylphenyl)-9-(2-deoxy-alpha-D-erythro-pentofuranosyl)-9H-purin-2-amine--water (1/1)
Database identifiers
- CAS
104715-74-4- PubChem CID
- 149665
- DTXSID
DTXSID80146677
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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