ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranuronosyl}-beta-D-glucopyranosiduronic acid | C37H34O20

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranuronosyl}-β-D-glucopyranosiduronic acid

  • Molecular FormulaC37H34O20
  • Average mass798.654 Da
  • Monoisotopic mass798.164368 Da
  • ChemSpider ID71044137

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 5-hydroxy-7-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranuronosyl]-β-D-glucopyranuronosyl]oxy]-2-(4-hydroxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranuronosyl}-β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl-2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranuronosyl}-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide 2-O-{2-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranuronosyl}-β-D-glucopyranosiduronique de 5-hydroxy-2-(4-hydroxyphényl)-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: 1143.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 176.6±3.0 kJ/mol
Flash Point: 355.2±27.8 °C
Index of Refraction: 1.745
Molar Refractivity: 183.8±0.4 cm3
#H bond acceptors: 20
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.70
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 315 Å2
Polarizability: 72.9±0.5 10-24cm3
Surface Tension: 113.4±5.0 dyne/cm
Molar Volume: 453.7±5.0 cm3

Click to predict properties on the Chemicalize site


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