ChemSpider 2D Image | 7-[(6-Deoxy-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl D-glucopyranoside | C27H30O16

7-[(6-Deoxy-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl D-glucopyranoside

  • Molecular FormulaC27H30O16
  • Average mass610.518 Da
  • Monoisotopic mass610.153381 Da
  • ChemSpider ID77001399

  • 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-[(6-deoxy-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-3-(D-glucopyranosyloxy)-5-hydroxy- [ACD/Index Name]
7-[(6-Deoxy-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl D-glucopyranoside [ACD/IUPAC Name]
7-[(6-Desoxy-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-3-yl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 7-[(6-désoxy-D-mannopyranosyl)oxy]-2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
18016-58-5 [RN]
Quercetin 3-O-glucoside-7-O-rhamnoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 999.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.7±3.0 kJ/mol
Flash Point: 330.7±27.8 °C
Index of Refraction: 1.765
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.03
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.68
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 125.2±5.0 dyne/cm
Molar Volume: 334.2±5.0 cm3

Click to predict properties on the Chemicalize site


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