ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-7-(hexopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]hexopyranosyl}hexopyranoside | C43H48O25

2-(3,4-Dihydroxyphenyl)-7-(hexopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]hexopyranosyl}hexopyranoside

  • Molecular FormulaC43H48O25
  • Average mass964.826 Da
  • Monoisotopic mass964.248474 Da
  • ChemSpider ID24844885

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(3,4-Dihydroxyphenyl)-7-(hexopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]hexopyranosyl}hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-(hexopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl-2-O-{2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]hexopyranosyl}hexopyranosid [German] [ACD/IUPAC Name]
2-O-{2-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]hexopyranosyl}hexopyranoside de 2-(3,4-dihydroxyphényl)-7-(hexopyranosyloxy)-5-hydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(hexopyranosyloxy)-5-hydroxy-3-[[2-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]hexopyranosyl]hexopyranosyl]oxy]- [ACD/Index 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: 1273.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 199.5±3.0 kJ/mol
Flash Point: 377.4±27.8 °C
Index of Refraction: 1.756
Molar Refractivity: 220.2±0.4 cm3
#H bond acceptors: 25
#H bond donors: 14
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -1.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.43
ACD/LogD (pH 7.4): -2.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 400 Å2
Polarizability: 87.3±0.5 10-24cm3
Surface Tension: 123.8±5.0 dyne/cm
Molar Volume: 537.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement