Basic information
- Standard SMILES
CSc1ccc(Cc2c[nH]nc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
HVJCTCGXBVYRHH-GAGVYUBLSA-N- Molecular formula
- C17H22N2O6S
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.1198576
Names & identifiers
- Preferred name
- 3-(beta-d-Glucopyranosyloxy)-4-[(4-methylthiophenyl)methyl]-1h-pyrazole
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[4-[(4-methylsulfanylphenyl)methyl]-1H-pyrazol-5-yl]oxy]oxane-3,4,5-triol
Names & synonyms
SCHEMBL1267692HVJCTCGXBVYRHH-GAGVYUBLSA-N3-(beta-d-glucopyranosyloxy)-4-[(4-methylthiophenyl)methyl]-1h-pyrazole
Database identifiers
- PubChem CID
- 66971117
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 439
Related reactions
2 records
Compound notes
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