4-((4-ethylthiophenyl)methyl]-5-methyl-3-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyloxy)-1H-pyrazole

HCID 67334792

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 properties

XLogP
3.3
Topological polar surface area
178 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
12
Rotatable bonds
15
Heavy atoms
40

Related reactions

5 records

Linked notes

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