Basic information
- Standard SMILES
Cc1nc(NC(=O)c2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)C3=S(=O)=O)c2n1- InChIKey
KEHDOLVBHVEZSU-AEDCBLDQSA-N- Molecular formula
- C18H17N5O6S
- Average molar mass
- 431.4 g/mol
Names & identifiers
- Preferred name
- N6-benzoyl-2'-deoxy-2-methyl-sulfonyladenosine
- IUPAC
- N-[9-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-sulfonyloxolan-2-yl]-2-methylpurin-6-yl]benzamide
Names & synonyms
SCHEMBL6899384KEHDOLVBHVEZSU-AEDCBLDQSA-NN6-benzoyl-2'-deoxy-2-methyl-sulfonyladenosine
Database identifiers
- PubChem CID
- 86757162
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 774
Related reactions
1 records
Compound notes
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