ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-threo-hexopyranosyl}-alpha-L-erythro-hexopyranoside | C37H38O19

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-threo-hexopyranosyl}-α-L-erythro-hexopyranoside

  • Molecular FormulaC37H38O19
  • Average mass786.686 Da
  • Monoisotopic mass786.200745 Da
  • ChemSpider ID24844694

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 10 defined stereocentres

More details:

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

2-O-{6-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-thréo-hexopyranosyl}-α-L-érythro-hexopyranoside de 5,7-dihydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-[[2-O-[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-β-D-threo-hexopyranosyl]-α-L-erythro-hexopyranosyl]oxy]-2-(4-hydroxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-{6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-threo-hexopyranosyl}-α-L-erythro-hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl-2-O-{6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-threo-hexopyranosyl}-α-L-erythro-hexopyranosid [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1106.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 170.4±3.0 kJ/mol
Flash Point: 343.2±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: 3.91
ACD/LogD (pH 5.5): 1.25
ACD/BCF (pH 5.5): 4.99
ACD/KOC (pH 5.5): 104.30
ACD/LogD (pH 7.4): -0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.98
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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