ChemSpider 2D Image | 4-[(1E)-3-Hydroxy-1-propen-1-yl]-2-methoxyphenyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C25H28O11

4-[(1E)-3-Hydroxy-1-propen-1-yl]-2-methoxyphenyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC25H28O11
  • Average mass504.483 Da
  • Monoisotopic mass504.163147 Da
  • ChemSpider ID24664593

  • 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

4-[(1E)-3-Hydroxy-1-propen-1-yl]-2-methoxyphenyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(1E)-3-Hydroxy-1-propen-1-yl]-2-methoxyphenyl-6-O-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-[(2E)-3-(3,4-Dihydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 4-[(1E)-3-hydroxy-1-propén-1-yl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]-2-methoxyphenyl 6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
KHAINAOSIDE C

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

Density: 1.5±0.1 g/cm3
Boiling Point: 820.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.0±3.0 kJ/mol
Flash Point: 277.7±27.8 °C
Index of Refraction: 1.682
Molar Refractivity: 130.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.48
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.56
ACD/KOC (pH 7.4): 47.59
Polar Surface Area: 175 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 68.7±3.0 dyne/cm
Molar Volume: 343.7±3.0 cm3

Click to predict properties on the Chemicalize site


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