ChemSpider 2D Image | Methyl (2S,3Z,4S)-2-(beta-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3-(2-{[(2E)-3-phenyl-2-propenoyl]oxy}ethylidene)-3,4-dihydro-2H-pyran-5-carboxylate | C27H32O13

Methyl (2S,3Z,4S)-2-(β-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3-(2-{[(2E)-3-phenyl-2-propenoyl]oxy}ethylidene)-3,4-dihydro-2H-pyran-5-carboxylate

  • Molecular FormulaC27H32O13
  • Average mass564.535 Da
  • Monoisotopic mass564.184265 Da
  • ChemSpider ID22913955

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(2S,3Z,4S)-2-(β-D-Glucopyranosyloxy)-4-(2-méthoxy-2-oxoéthyl)-3-(2-{[(2E)-3-phényl-2-propenoyl]oxy}éthylidène)-3,4-dihydro-2H-pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Pyran-4-acetic acid, 2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-3-[2-[[(2E)-1-oxo-3-phenyl-2-propen-1-yl]oxy]ethylidene]-, methyl ester, (2S,3Z,4S)- [ACD/Index Name]
Methyl (2S,3Z,4S)-2-(β-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3-(2-{[(2E)-3-phenyl-2-propenoyl]oxy}ethylidene)-3,4-dihydro-2H-pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-(2S,3Z,4S)-2-(β-D-glucopyranosyloxy)-4-(2-methoxy-2-oxoethyl)-3-(2-{[(2E)-3-phenyl-2-propenoyl]oxy}ethyliden)-3,4-dihydro-2H-pyran-5-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 750.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.7±3.0 kJ/mol
Flash Point: 245.1±26.4 °C
Index of Refraction: 1.606
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -0.26
ACD/LogD (pH 5.5): -0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.77
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.77
Polar Surface Area: 188 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 394.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement