Basic information
- Standard SMILES
CC(C)c1[nH]nc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1Cc1ccccc1OCc1ccccc1- InChIKey
VKJYZOHVADWABC-TXKDOCKMSA-N- Molecular formula
- C26H32N2O7
- Average molar mass
- 484.5 g/mol
Names & identifiers
- Preferred name
- 4-(2-Benzyloxybenzyl)-3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole
- IUPAC
- (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[4-[(2-phenylmethoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]oxane-3,4,5-triol
Names & synonyms
CHEMBL2159091SCHEMBL5643805VKJYZOHVADWABC-TXKDOCKMSA-NBDBM503945314-(2-Benzyloxybenzyl)-3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole
Database identifiers
- PubChem CID
- 9956975
- ChEMBL
CHEMBL2159091
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 635
Related reactions
2 records
Compound notes
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