ChemSpider 2D Image | 2-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl beta-D-glucopyranoside | C16H20O8

2-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl β-D-glucopyranoside

  • Molecular FormulaC16H20O8
  • Average mass340.325 Da
  • Monoisotopic mass340.115814 Da
  • ChemSpider ID28483753

  • 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-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl β-D-glucopyranoside [ACD/IUPAC Name]
2-Methoxy-4-[(1E)-3-oxo-1-propen-1-yl]phenyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Propenal, 3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-, (2E)- [ACD/Index Name]
β-D-Glucopyranoside de 2-méthoxy-4-[(1E)-3-oxo-1-propén-1-yl]phényle [French] [ACD/IUPAC Name]
2-methoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl β-D-glucopyranoside
4-O-(β-D-glucosyl)-4-(E)-coniferyl aldehyde
coniferaldehyde glucoside
coniferaldehyde O-β-D-glucoside
coniferaldehyde β-D-glucoside
coniferaldehyde β-glucoside
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 616.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 227.1±25.0 °C
Index of Refraction: 1.628
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.08
ACD/LogD (pH 5.5): -0.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.93
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.93
Polar Surface Area: 126 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 238.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement