Basic information
- Standard SMILES
Cc1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccc(OC(C)C)cc1- InChIKey
YQFYTOQBHMPXFY-NUABRCLCSA-N- Molecular formula
- C20H28N2O7
- Average molar mass
- 408.4 g/mol
Names & identifiers
- Preferred name
- 3-(beta-D-glucopyranosyloxy)-4-[(4-iso-propoxyphenyl)methyl]-5-methyl-1H-pyrazole
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazol-3-yl]oxy]oxane-3,4,5-triol
Names & synonyms
CHEMBL3960449SCHEMBL2252648YQFYTOQBHMPXFY-NUABRCLCSA-NBDBM505595223-(beta-D-glucopyranosyloxy)-4-[(4-iso-propoxyphenyl)methyl]-5-methyl-1H-pyrazole3-(beta-D-glucopyranosyloxy)-4-[(4-isopropoxyphenyl)-methyl]-5-methyl-1H-pyrazole3-(beta-D-glucopyranosyloxy)-4-[(4-isopropoxyphenyl)methyl]-5-methyl-1H-pyrazole
Database identifiers
- PubChem CID
- 9801558
- ChEMBL
CHEMBL3960449
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 503
Related reactions
25 records
Linked notes
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