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87441-89-2

87441-89-2 Structure

87441-89-2 Structure
IdentificationBack Directory
[Name]

1-Propanone, 3-(3,4-dihydroxyphenyl)-1-(3-β-D-glucopyranosyl-2,4-dihydroxyphenyl)-2-hydroxy-, (2R)-
[CAS]

87441-89-2
[Synonyms]

1-Propanone, 3-(3,4-dihydroxyphenyl)-1-(3-β-D-glucopyranosyl-2,4-dihydroxyphenyl)-2-hydroxy-, (2R)-
[Molecular Formula]

C21H24O11
[MOL File]

87441-89-2.mol
[Molecular Weight]

452.41
Chemical PropertiesBack Directory
[Boiling point ]

860.9±65.0 °C(Predicted)
[density ]

1.666±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

water: slightly soluble
[form ]

solid
[pka]

7.16±0.50(Predicted)
[biological source]

plant
[Water Solubility ]

water: slightly soluble
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[InChIKey]

LNVWGAALAQOWHF-IUOSPEFCSA-N
[SMILES]

O1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1c2c(c(ccc2O)C(=O)[C@H](O)Cc3cc(c(cc3)O)O)O)O)O)O)CO
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

metabolomics
vitamins, nutraceuticals, and natural products
87441-89-2 suppliers list
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