beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-, monohydrate
Basic information
- CAS
72758-49-7- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCC(O)COc2cccc3ccccc23)[C@@H](O)[C@H]1O- InChIKey
UOCLKQFGFLWNJV-OCUQTMKUSA-N- Molecular formula
- C23H24N6O6
- Average molar mass
- 480.5 g/mol
- Monoisotopic mass
- 480.17573251
Names & identifiers
- Preferred name
- beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-, monohydrate
- IUPAC
- (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-N-(2-hydroxy-3-naphthalen-1-yloxypropyl)oxolane-2-carboxamide
Names & synonyms
72758-49-7beta-D-Ribofuranuronamide, 1-(6-amino-9H-purin-9-yl)-1-deoxy-N-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-, monohydrateRefChem:1079673
Database identifiers
- CAS
72758-49-7- PubChem CID
- 3055697
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 735
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Compound notes
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