4-[(4-ethylphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-1-(3-hydroxypropyl)-5-methyl-1H-pyrazole

HCID 69013255
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Basic information

Standard SMILES
CCc1ccc(Cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn(CCCO)c2C)cc1
InChIKey
VEBOKPFLFWYFKZ-JPVHLGFFSA-N
Molecular formula
C22H32N2O7
Average molar mass
436.5 g/mol

Names & identifiers

Preferred name
4-[(4-ethylphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-1-(3-hydroxypropyl)-5-methyl-1H-pyrazole
IUPAC
(2S,3R,4S,5S,6R)-2-[4-[(4-ethylphenyl)methyl]-1-(3-hydroxypropyl)-5-methylpyrazol-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Names & synonyms

SCHEMBL4352944VEBOKPFLFWYFKZ-JPVHLGFFSA-N4-[(4-ethylphenyl)methyl]-3-(beta-D-glucopyranosyloxy)-1-(3-hydroxypropyl)-5-methyl-1H-pyrazole

Database identifiers

PubChem CID
69013255

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
137 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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