ChemSpider 2D Image | 7-(beta-D-Allopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-allopyranoside | C37H38O19

7-(β-D-Allopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-allopyranoside

  • Molecular FormulaC37H38O19
  • Average mass786.686 Da
  • Monoisotopic mass786.200745 Da
  • ChemSpider ID10142455

  • 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, 7-(β-D-allopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-allopyranosyl]oxy]- [ACD/Index Name]
6-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-allopyranoside de 7-(β-D-allopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
7-(β-D-Allopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-allopyranoside [ACD/IUPAC Name]
7-(β-D-Allopyranosyloxy)-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-allopyranosid [German] [ACD/IUPAC Name]
Isorhamnetin 3-O-β-(6''-E-p-coumaroyglucopyranoside)-7-O-β-glucopyranoside

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1119.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.5±3.0 kJ/mol
Flash Point: 347.2±27.8 °C
Index of Refraction: 1.742
Molar Refractivity: 184.9±0.4 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.43
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.46
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 301 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 110.7±5.0 dyne/cm
Molar Volume: 457.4±5.0 cm3

Click to predict properties on the Chemicalize site


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