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

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

  • Molecular FormulaC27H28O12
  • Average mass544.504 Da
  • Monoisotopic mass544.158081 Da
  • ChemSpider ID73989763

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 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-(α-D-glucopyranuronosyloxy)-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 α-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[(1E,6E)-7-(4-Hydroxy-3-methoxyphenyl)-3,5-dioxo-1,6-heptadien-1-yl]-2-methoxyphenyl-α-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide α-D-glucopyranosiduronique de 4-[(1E,6E)-7-(4-hydroxy-3-méthoxyphényl)-3,5-dioxo-1,6-heptadién-1-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
227466-72-0 [RN]
curcumin β-d-glucuronide
MFCD28898516

    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


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