ChemSpider 2D Image | 2-[3-(D-Glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl hydrogen sulfate | C21H20O14S

2-[3-(D-Glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl hydrogen sulfate

  • Molecular FormulaC21H20O14S
  • Average mass528.440 Da
  • Monoisotopic mass528.057373 Da
  • ChemSpider ID8159988

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2-[3-(D-Glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl hydrogen sulfate [ACD/IUPAC Name]
2-[3-(D-Glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-ylhydrogensulfat [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-(D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-7-(sulfooxy)- [ACD/Index Name]
Hydrogénosulfate de 2-[3-(D-glucopyranosyloxy)-4-hydroxyphényl]-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.728
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -1.52
ACD/LogD (pH 5.5): -5.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 238 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 106.5±3.0 dyne/cm
Molar Volume: 289.2±3.0 cm3

Click to predict properties on the Chemicalize site


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