ChemSpider 2D Image | 5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-{6-deoxy-3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-alpha-L-erythro-hexopyranosyl}-alpha-L-glycero-hexopyranoside | C38H40O19

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

  • Molecular FormulaC38H40O19
  • Average mass800.713 Da
  • Monoisotopic mass800.216370 Da
  • ChemSpider ID24845034

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 10 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 3-[[6-O-[6-deoxy-3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]-α-L-erythro-hexopyranosyl]-α-L-glycero-hexopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-meth oxyphenyl)- [ACD/Index Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl 6-O-{6-deoxy-3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-L-erythro-hexopyranosyl}-α-L-glycero-hexopyranoside [ACD/IUPAC Name]
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl-6-O-{6-desoxy-3-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-α-L-erythro-hexopyranosyl}-α-L-glycero-hexopyranosid [German] [ACD/IUPAC Name]
6-O-{6-Désoxy-3-O-[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]-α-L-érythro-hexopyranosyl}-α-L-glycéro-hexopyranoside de 5,7-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-3-yle [French] [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: 1074.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 165.1±3.0 kJ/mol
Flash Point: 331.0±27.8 °C
Index of Refraction: 1.718
Molar Refractivity: 189.7±0.4 cm3
#H bond acceptors: 19
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 7.25
ACD/KOC (pH 5.5): 135.75
ACD/LogD (pH 7.4): 0.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.74
Polar Surface Area: 290 Å2
Polarizability: 75.2±0.5 10-24cm3
Surface Tension: 100.6±5.0 dyne/cm
Molar Volume: 481.6±5.0 cm3

Click to predict properties on the Chemicalize site


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