ChemSpider 2D Image | 4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl hexopyranosiduronic acid | C27H28O12

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

  • Molecular FormulaC27H28O12
  • Average mass544.504 Da
  • Monoisotopic mass544.158081 Da
  • ChemSpider ID57487532

  • Double-bond stereo - Double-bond stereo

More details:

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

1,6-Heptadiene-3,5-dione, 1-[4-(hexopyranuronosyloxy)-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 hexopyranosiduronic acid [ACD/IUPAC Name]
4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenylhexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide hexopyranosiduronique de 4-[(1E,6E)-7-(4-hydroxy-3-méthoxyphényl)-3,5-dioxo-1,6-heptadién-1-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
CURCUMIN β-D-GLUCURONIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 838.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 127.7±3.0 kJ/mol
Flash Point: 279.4±27.8 °C
Index of Refraction: 1.667
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -2.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 189 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 370.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement