ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-7-(alpha-L-threo-hexopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-erythro-hexopyranosyl}-alpha-L-erythro-hexopyr anoside | C42H46O23

2-(3,4-Dihydroxyphenyl)-7-(α-L-threo-hexopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-erythro-hexopyranosyl}-α-L-erythro-hexopyr anoside

  • Molecular FormulaC42H46O23
  • Average mass918.801 Da
  • Monoisotopic mass918.242981 Da
  • ChemSpider ID24844943

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 15 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-7-(α-L-threo-hexopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-erythro-hexopyranosyl}-α-L-erythro-hexopyr
 anoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-7-(α-L-threo-hexopyranosyloxy)-5-hydroxy-4-oxo-4H-chromen-3-yl-6-desoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-erythro-hexopyranosyl}-α-L-erythro-hexopy
 ranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[6-deoxy-2-O-[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-erythro-hexopyranosyl]-α-L-erythro-hexopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-7-(α-L-threo-hex
 opyranosyloxy)-5-hydroxy- [ACD/Index Name]
6-Désoxy-2-O-{6-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-érythro-hexopyranosyl}-α-L-érythro-hexopyranoside de 2-(3,4-dihydroxyphényl)-7-(α-L-thréo-hexopyranosyloxy)-5-hydroxy-4-oxo-4H-c
 hromén-3-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: 1240.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 193.6±3.0 kJ/mol
Flash Point: 371.4±27.8 °C
Index of Refraction: 1.755
Molar Refractivity: 212.3±0.4 cm3
#H bond acceptors: 23
#H bond donors: 13
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.20
ACD/LogD (pH 5.5): -0.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.51
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 371 Å2
Polarizability: 84.1±0.5 10-24cm3
Surface Tension: 119.8±5.0 dyne/cm
Molar Volume: 518.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement