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

4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)phenyl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-L-glucopyranuronosyl}-β-L-glucopyranosiduronic acid

  • Molecular FormulaC37H34O20
  • Average mass798.654 Da
  • Monoisotopic mass798.164368 Da
  • ChemSpider ID4481101

  • 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

4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)phenyl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-L-glucopyranuronosyl}-β-L-glucopyranosiduronic acid [ACD/IUPAC Name]
4-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)phenyl-2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-L-glucopyranuronosyl}-β-L-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-L-glucopyranuronosyl]-β-L-glucopyranuronosyl]oxy]phenyl]- [ACD/Index Name]
Acide 2-O-{2-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-β-L-glucopyranuronosyl}-β-L-glucopyranosiduronique de 4-(5,7-dihydroxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]
4-(5,7-dihydroxy-4-oxo-4H-chromen-2-yl)phenyl rel-2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-D-glucopyranuronosyl}-β-D-glucopyranosiduronic acid
4H-1-benzopyran-4-one, 5,7-dihydroxy-2-[4-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-L-glucopyranuronosyl]-β-L-glucopyranuronosyl]oxy]phenyl]-
4'-O-[2'-O-E-Feruloyl-O-β-D-glucuronopyranosyl(1->2)-O-β-D-glucuronopyranoside]apigenin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 1124.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 173.4±3.0 kJ/mol
Flash Point: 349.3±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: 4.49
ACD/LogD (pH 5.5): -2.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.61
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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