ChemSpider 2D Image | 3-[4-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}oxy)-3-hydroxyphenyl]propanoic acid | C24H26O12

3-[4-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-3-hydroxyphenyl]propanoic acid

  • Molecular FormulaC24H26O12
  • Average mass506.456 Da
  • Monoisotopic mass506.142426 Da
  • ChemSpider ID9937601

  • 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

3-[4-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-3-hydroxyphenyl]propanoic acid [ACD/IUPAC Name]
3-[4-({6-O-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-3-hydroxyphenyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[4-({6-O-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-β-D-glucopyranosyl}oxy)-3-hydroxyphényl]propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-3-hydroxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 847.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.1±3.0 kJ/mol
Flash Point: 288.9±27.8 °C
Index of Refraction: 1.690
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.93
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.85
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 79.6±3.0 dyne/cm
Molar Volume: 323.6±3.0 cm3

Click to predict properties on the Chemicalize site


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