4-((4-ethylthiophenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazole
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Basic information
- Standard SMILES
CCSc1ccc(Cc2c(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)n[nH]c2C)cc1- InChIKey
LTLWOOYPAVFHSX-NUPXYHBHSA-N- Molecular formula
- C27H34N2O10S
- Average molar mass
- 578.6 g/mol
Names & identifiers
- Preferred name
- 4-((4-ethylthiophenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazole
- IUPAC
- [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[[4-[(4-ethylsulfanylphenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]oxan-2-yl]methyl acetate
Names & synonyms
4-((4-ethylthiophenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazole4-[(4-ethylthiophenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazoleSCHEMBL2251285LTLWOOYPAVFHSX-NUPXYHBHSA-N
Database identifiers
- PubChem CID
- 67334792
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 883
Related reactions
5 records
Compound notes
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