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Basic information
- Standard SMILES
CC(=O)n1nc(O[C@@H]2O[C@H](COC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H](OC(=O)C(C)(C)C)[C@H]2OC(=O)C(C)(C)C)c(Cc2ccccc2)c1C(C)C- InChIKey
BQNRXAWCURLWBI-QRRWAWJYSA-N- Molecular formula
- C41H60N2O11
- Average molar mass
- 756.9 g/mol
- Monoisotopic mass
- 756.41971073
Names & identifiers
- Preferred name
- 1-acetyl-4-benzyl-5-isopropyl-3-(2,3,4,6-tetra-O-pivaloyl-beta-D-glucopyranosyl-oxy)-1H-pyrazole
- IUPAC
- [(2R,3R,4S,5R,6S)-6-(1-acetyl-4-benzyl-5-propan-2-ylpyrazol-3-yl)oxy-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate
Names & synonyms
SCHEMBL2285941BQNRXAWCURLWBI-QRRWAWJYSA-N1-acetyl-4-benzyl-5-isopropyl-3-(2,3,4,6-tetra-O-pivaloyl-beta-D-glucopyranosyl-oxy)-1H-pyrazole1-acetyl-4-benzyl-5-isopropyl-3-(2,3,4,6-tetra-O-pivaloyl-beta-D-glucopyranosyloxy)-1H-pyrazole
Database identifiers
- PubChem CID
- 11614711
Properties
Computed structural propertiesFilling in
- XLogP
- 8.7
- Topological polar surface area
- 159 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 18
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
2 records
Compound notes
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