ChemSpider 2D Image | 2-(3-Hydroxy-4-methoxyphenyl)ethyl 4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C25H30O11

2-(3-Hydroxy-4-methoxyphenyl)ethyl 4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC25H30O11
  • Average mass506.499 Da
  • Monoisotopic mass506.178802 Da
  • ChemSpider ID30647270

  • 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

2-(3-Hydroxy-4-methoxyphenyl)ethyl 4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
2-(3-Hydroxy-4-methoxyphenyl)ethyl-4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]-β-D-glucopyranoside de 2-(3-hydroxy-4-méthoxyphényl)éthyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 2-(3-hydroxy-4-methoxyphenyl)ethyl 4-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]- [ACD/Index Name]
(E)-(2R,3S,4R,5R,6R)-4,5-Dihydroxy-6-(3-hydroxy-4-methoxyphenethoxy)-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl 3-(4-hydroxy-3-methoxyphenyl)acrylate
(E)-2-(3-Hydroxy-4-methoxyphenyl)ethyl 4-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate] β-D-glucopyranoside
136055-64-6 [RN]
Desrhamnosylmartynoside
MFCD20260734
missing

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

Density: 1.4±0.1 g/cm3
Boiling Point: 734.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 246.2±26.4 °C
Index of Refraction: 1.636
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 8.02
ACD/KOC (pH 5.5): 154.39
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 7.95
ACD/KOC (pH 7.4): 153.22
Polar Surface Area: 164 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 74.2±5.0 dyne/cm
Molar Volume: 351.3±5.0 cm3

Click to predict properties on the Chemicalize site


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