[5-(6-Benzamidopurin-7-yl)-3-benzoyloxy-4-methylsulfanyloxolan-2-yl]methyl benzoate
Basic information
- CAS
30546-00-0- Standard SMILES
CSC1C(OC(=O)c2ccccc2)C(COC(=O)c2ccccc2)OC1n1cnc2ncnc(NC(=O)c3ccccc3)c21- InChIKey
BMPUMGWYBHVEIQ-UHFFFAOYSA-N- Molecular formula
- C32H27N5O6S
- Average molar mass
- 609.7 g/mol
- Monoisotopic mass
- 609.16820477
Names & identifiers
- Preferred name
- [5-(6-Benzamidopurin-7-yl)-3-benzoyloxy-4-methylsulfanyloxolan-2-yl]methyl benzoate
- IUPAC
- [5-(6-benzamidopurin-7-yl)-3-benzoyloxy-4-methylsulfanyloxolan-2-yl]methyl benzoate
Names & synonyms
30546-00-0NSC138289DTXSID30952846NSC-1382897-(3,5-Di-O-benzoyl-2-S-methyl-2-thiopentofuranosyl)-6-{[hydroxy(phenyl)methylidene]amino}-7H-purine
Database identifiers
- CAS
30546-00-0- PubChem CID
- 283465
- DTXSID
DTXSID30952846
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 988
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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