[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-{[2-(trifluoromethyl)phenyl]ethynyl}-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl sulfamate
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Basic information
- Standard SMILES
NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(C#Cc4ccccc4C(F)(F)F)ncnc32)[C@H](O)[C@@H]1O- InChIKey
IHEXBOKTNFSSDW-GFOCRRMGSA-N- Molecular formula
- C19H16F3N5O6S
- Average molar mass
- 499.4 g/mol
- Monoisotopic mass
- 499.07733891
Names & identifiers
- Preferred name
- [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-{[2-(trifluoromethyl)phenyl]ethynyl}-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl sulfamate
- IUPAC
- [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[2-[2-(trifluoromethyl)phenyl]ethynyl]purin-9-yl]oxolan-2-yl]methyl sulfamate
Names & synonyms
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-{[2-(trifluoromethyl)phenyl]ethynyl}-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl sulfamateSCHEMBL1797390CHEMBL3891074
Database identifiers
- PubChem CID
- 58296166
- ChEMBL
CHEMBL3891074
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 171 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 906
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Related reactions
1 records
Compound notes
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