ChemSpider 2D Image | 4-[(1E)-3-Hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl 6-O-{[(2S,3E,4S)-3-ethylidene-2-(beta-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-beta-D-glucopyranoside | C34H46O19

4-[(1E)-3-Hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl 6-O-{[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-β-D-glucopyranoside

  • Molecular FormulaC34H46O19
  • Average mass758.718 Da
  • Monoisotopic mass758.263306 Da
  • ChemSpider ID28484585

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-[(1E)-3-Hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl 6-O-{[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(1E)-3-Hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl-6-O-{[(2S,3E,4S)-3-ethyliden-2-(β-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetyl}-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-{2-[(2S,3E,4S)-3-Éthylidène-2-(β-D-glucopyranosyloxy)-5-(méthoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acétyl}-β-D-glucopyranoside de 4-[(1E)-3-hydroxy-1-propén-1-yl]-2,6-diméthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, 4-[(1E)-3-hydroxy-1-propen-1-yl]-2,6-dimethoxyphenyl, 6-[2-[(2S,3E,4S)-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-yl]acetate] [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 958.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.3±3.0 kJ/mol
Flash Point: 295.7±27.8 °C
Index of Refraction: 1.629
Molar Refractivity: 177.5±0.4 cm3
#H bond acceptors: 19
#H bond donors: 8
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -1.54
ACD/LogD (pH 5.5): -1.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.34
ACD/LogD (pH 7.4): -1.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.34
Polar Surface Area: 279 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 499.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement