ChemSpider 2D Image | 5-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]-2-methoxyphenyl beta-D-glucopyranoside | C21H24O9

5-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]-2-methoxyphenyl β-D-glucopyranoside

  • Molecular FormulaC21H24O9
  • Average mass420.410 Da
  • Monoisotopic mass420.142029 Da
  • ChemSpider ID23926463

  • 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

(2S,3R,4S,5S,6R)-2-{5-[(1E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
5-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]-2-methoxyphenyl β-D-glucopyranoside [ACD/IUPAC Name]
5-[(E)-2-(3,5-Dihydroxyphenyl)vinyl]-2-methoxyphenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
94356-22-6 [RN]
β-D-Glucopyranoside de 5-[(E)-2-(3,5-dihydroxyphényl)vinyl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenyl [ACD/Index Name]
Rhapontigenin 3'-o-glucoside
rhapontigenin 3'-O-β-D-glucopyranoside

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

Density: 1.5±0.0 g/cm3
Boiling Point: 711.3±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 109.2±0.0 kJ/mol
Flash Point: 384.0±0.0 °C
Index of Refraction: 1.711
Molar Refractivity: 109.8±0.0 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.02
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.62
Polar Surface Area: 149 Å2
Polarizability: 43.5±0.0 10-24cm3
Surface Tension: 72.4±0.0 dyne/cm
Molar Volume: 280.6±0.0 cm3

Click to predict properties on the Chemicalize site


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