[3-[Acetyl(methyl)amino]-4-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl acetate
Basic information
- CAS
25787-54-6- Standard SMILES
CC(=O)OCC1OC(n2cnc3c(NC(=O)c4ccccc4)ncnc32)C(OC(C)=O)C1N(C)C(C)=O- InChIKey
KVOAVYAOMXRKEN-UHFFFAOYSA-N- Molecular formula
- C24H26N6O7
- Average molar mass
- 510.5 g/mol
- Monoisotopic mass
- 510.18629719
Names & identifiers
- Preferred name
- [3-[Acetyl(methyl)amino]-4-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl acetate
- IUPAC
- [3-[acetyl(methyl)amino]-4-acetyloxy-5-(6-benzamidopurin-9-yl)oxolan-2-yl]methyl acetate
Names & synonyms
25787-54-6NSC127979DTXSID20948657NSC-1279799-[2,5-Di-O-acetyl-3-deoxy-3-(N-methylacetamido)pentofuranosyl]-6-{[hydroxy(phenyl)methylidene]amino}-9H-purine9-{2,5-Di-O-acetyl-3-[acetyl(methyl)amino]-3-deoxypentofuranosyl}-6-{[hydroxy(phenyl)methylidene]amino}-9H-purine
Database identifiers
- CAS
25787-54-6- PubChem CID
- 278409
- DTXSID
DTXSID20948657
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 155 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 869
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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