ChemSpider 2D Image | 7-(alpha-L-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glycero-hexopyranosyl}-beta-D-threo-hexopyranoside | C42H46O23

7-(α-L-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glycero-hexopyranosyl}-β-D-threo-hexopyranoside

  • Molecular FormulaC42H46O23
  • Average mass918.801 Da
  • Monoisotopic mass918.242981 Da
  • ChemSpider ID24844559

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 15 defined stereocentres

More details:

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

2-O-{2-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-glycéro-hexopyranosyl}-β-D-thréo-hexopyranoside de 7-(α-L-thréo-hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 7-(α-L-threo-hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-3-[[2-O-[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glycero-hexopyranosyl]-β-D-threo-hexopyran osyl]oxy]- [ACD/Index Name]
7-(α-L-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glycero-hexopyranosyl}-β-D-threo-hexopyranoside [ACD/IUPAC Name]
7-(α-L-threo-Hexopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-2-O-{2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glycero-hexopyranosyl}-β-D-threo-hexopyranosid [German] [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: 1234.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 192.6±3.0 kJ/mol
Flash Point: 369.7±27.8 °C
Index of Refraction: 1.754
Molar Refractivity: 212.3±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.87
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.17
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 371 Å2
Polarizability: 84.2±0.5 10-24cm3
Surface Tension: 119.9±5.0 dyne/cm
Molar Volume: 519.1±5.0 cm3

Click to predict properties on the Chemicalize site


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