ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(carboxyacetyl)-2-O-(6-deoxy-beta-D-gulopyranosyl)-beta-D-allopyranoside | C30H32O19

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(carboxyacetyl)-2-O-(6-deoxy-β-D-gulopyranosyl)-β-D-allopyranoside

  • Molecular FormulaC30H32O19
  • Average mass696.564 Da
  • Monoisotopic mass696.153809 Da
  • ChemSpider ID4478818

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(carboxyacetyl)-2-O-(6-deoxy-β-D-gulopyranosyl)-β-D-allopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-6-O-(carboxyacetyl)-2-O-(6-desoxy-β-D-gulopyranosyl)-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-O-(2-Carboxyacétyl)-2-O-(6-désoxy-β-D-gulopyranosyl)-β-D-allopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
β-D-Allopyranoside, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 2-O-(6-deoxy-β-D-gulopyranosyl)-, 6-(2-carboxyacetate) [ACD/Index Name]
Quercetin-3-O-(2''-O-α-rhamnosyl-6''-O-malonyl)-β-glucoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1064.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 163.3±3.0 kJ/mol
Flash Point: 342.3±27.8 °C
Index of Refraction: 1.741
Molar Refractivity: 154.0±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.46
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 122.3±5.0 dyne/cm
Molar Volume: 381.6±5.0 cm3

Click to predict properties on the Chemicalize site


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