ChemSpider 2D Image | 3-Hydroxy-5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)vinyl]phenyl beta-D-glucopyranoside | C21H24O9

3-Hydroxy-5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)vinyl]phenyl β-D-glucopyranoside

  • Molecular FormulaC21H24O9
  • Average mass420.410 Da
  • Monoisotopic mass420.142029 Da
  • ChemSpider ID90659912

  • 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-Hydroxy-5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)vinyl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)vinyl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de 3-hydroxy-5-[(Z)-2-(3-hydroxy-4-méthoxyphényl)vinyl]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 3-hydroxy-5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl [ACD/Index Name]
(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(2S,3R,4S,5S,6R)-2-{3-hydroxy-5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
(Z)-rhaponticin
3-hydroxy-5-[(Z)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl β-D-glucopyranoside
cis-rhaponticin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 749.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 406.9±32.9 °C
Index of Refraction: 1.711
Molar Refractivity: 109.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.68
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.12
ACD/KOC (pH 5.5): 37.83
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 36.99
Polar Surface Area: 149 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 72.4±3.0 dyne/cm
Molar Volume: 280.6±3.0 cm3

Click to predict properties on the Chemicalize site


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