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Search term: WWSKELVNYRIPTL-UHFFFAOYSA-K (Found by InChIKey (full match))

ChemSpider 2D Image | quercetin 3,3',7-trissulfate(3-) | C15H7O16S3

quercetin 3,3',7-trissulfate(3-)

  • Molecular FormulaC15H7O16S3
  • Average mass539.403 Da
  • Monoisotopic mass538.891235 Da
  • ChemSpider ID10289883
  • Charge - Charge


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4H-1-Benzopyran-4-one, 5-hydroxy-2-[4-hydroxy-3-(sulfooxy)phenyl]-3,7-bis(sulfooxy)-, ion(3-) [ACD/Index Name]
5-Hydroxy-2-[4-hydroxy-3-(sulfonatooxy)phenyl]-4-oxo-4H-chromen-3,7-diyldisulfat [German] [ACD/IUPAC Name]
5-Hydroxy-2-[4-hydroxy-3-(sulfonatooxy)phenyl]-4-oxo-4H-chromene-3,7-diyl disulfate [ACD/IUPAC Name]
Disulfate de 5-hydroxy-2-[4-hydroxy-3-(sulfonatooxy)phényl]-4-oxo-4H-chromène-3,7-diyle [French] [ACD/IUPAC Name]
quercetin 3,3',7-trissulfate(3-)
quercetin 3,3',7-trissulfate
quercetin 3,3',7-trissulfate (OLD)
quercetin 3,3',7-trissulfate trianion

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:57813 [DBID]
6557088 [DBID]
  • Miscellaneous
    • Chemical Class:

      Trianion of quercetin 3,3',7-trissulfate arising from deprotonation of the three sulfate OH groups. ChEBI CHEBI:57813

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -8.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 291 Å2
Polarizability:
Surface Tension:
Molar Volume:

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