ChemSpider 2D Image | 5-[7-(D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl D-glucopyranoside | C27H30O16

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

  • Molecular FormulaC27H30O16
  • Average mass610.518 Da
  • Monoisotopic mass610.153381 Da
  • ChemSpider ID19604963

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-(D-glucopyranosyloxy)-2-[3-(D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy- [ACD/Index Name]
5-[7-(D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl D-glucopyranoside [ACD/IUPAC Name]
5-[7-(D-Glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-2-yl]-2-hydroxyphenyl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 5-[7-(D-glucopyranosyloxy)-5-hydroxy-4-oxo-4H-chromén-2-yl]-2-hydroxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 998.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.5±3.0 kJ/mol
Flash Point: 330.3±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -3.49
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 105.1±3.0 dyne/cm
Molar Volume: 350.3±3.0 cm3

Click to predict properties on the Chemicalize site


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