ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-[6-O-(carboxyacetyl)-beta-D-glucopyranosyl]-beta-D-glucopyranoside | C30H32O19

2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-O-[6-O-(carboxyacetyl)-β-D-glucopyranosyl]-β-D-glucopyranoside

  • Molecular FormulaC30H32O19
  • Average mass696.564 Da
  • Monoisotopic mass696.153809 Da
  • ChemSpider ID59696457

  • 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-hydroxy-4-oxo-4H-chromen-7-yl 6-O-[6-O-(carboxyacetyl)-β-D-glucopyranosyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl-6-O-[6-O-(carboxyacetyl)-β-D-glucopyranosyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[6-O-(2-Carboxyacétyl)-β-D-glucopyranosyl]-β-D-glucopyranoside de 2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl 6-O-[6-O-(2-carboxyacetyl)-β-D-glucopyranosyl]- [ACD/Index Name]
3-{[(2R,3S,4S,5R,6R)-6-{[(2R,3S,4S,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3-oxopropanoic acid
Luteolin 7-O-(6''-O-malonyl)-β-D-diglucoside

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1079.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.9±3.0 kJ/mol
Flash Point: 347.3±27.8 °C
Index of Refraction: 1.742
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.96
ACD/LogD (pH 5.5): -3.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 123.5±5.0 dyne/cm
Molar Volume: 381.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement