ChemSpider 2D Image | 4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl D-glucopyranoside | C27H30O11

4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl D-glucopyranoside

  • Molecular FormulaC27H30O11
  • Average mass530.521 Da
  • Monoisotopic mass530.178833 Da
  • ChemSpider ID7982771

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1,6-Heptadiene-3,5-dione, 1-[4-(D-glucopyranosyloxy)-3-methoxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)-, (1E,6E)- [ACD/Index Name]
4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl D-glucopyranoside [ACD/IUPAC Name]
4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 4-[(1E,6E)-7-(4-hydroxy-3-méthoxyphényl)-3,5-dioxo-1,6-heptadién-1-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4517144/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 799.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 121.9±3.0 kJ/mol
Flash Point: 265.8±26.4 °C
Index of Refraction: 1.653
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 30.74
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.47
Polar Surface Area: 172 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 376.5±3.0 cm3

Click to predict properties on the Chemicalize site


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