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)c1Cc1ccccc1OCc1cccc(Cl)c1- InChIKey
IUAONZNBSHCSRL-TXKDOCKMSA-N- Molecular formula
- C26H31ClN2O7
- Average molar mass
- 519 g/mol
Names & identifiers
- Preferred name
- 4-[2-(3-Chlorobenzyloxy)benzyl]-3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole
- IUPAC
- (2S,3R,4S,5S,6R)-2-[[4-[[2-[(3-chlorophenyl)methoxy]phenyl]methyl]-5-propan-2-yl-1H-pyrazol-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Names & synonyms
SCHEMBL5649286IUAONZNBSHCSRL-TXKDOCKMSA-N4-[2-(3-Chlorobenzyloxy)benzyl]-3-(beta-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole
Database identifiers
- PubChem CID
- 10142686
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 676
Related reactions
1 records
Compound notes
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