4-(4-ethylphenylmethyl)-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl) pyrazole
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Basic information
- Standard SMILES
CCc1ccc(Cc2cnn([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c2)cc1- InChIKey
YCLSBHNMMQFOSY-WSGIOKLISA-N- Molecular formula
- C26H32N2O9
- Average molar mass
- 516.5 g/mol
Names & identifiers
- Preferred name
- 4-(4-ethylphenylmethyl)-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl) pyrazole
- IUPAC
- [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[4-[(4-ethylphenyl)methyl]pyrazol-1-yl]oxan-2-yl]methyl acetate
Names & synonyms
SCHEMBL153446YCLSBHNMMQFOSY-WSGIOKLISA-N4-(4-ethylphenylmethyl)-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl) pyrazole4-(4-ethylphenylmethyl)-1-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)pyrazole
Database identifiers
- PubChem CID
- 66607635
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 13
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 814
Related reactions
2 records
Compound notes
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