ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)ethyl (2S,3Z,4S)-2-(beta-D-glucopyranosyloxy)-3-(2-hydroxyethylidene)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylate | C32H38O15

2-(3,4-Dihydroxyphenyl)ethyl (2S,3Z,4S)-2-(β-D-glucopyranosyloxy)-3-(2-hydroxyethylidene)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylate

  • Molecular FormulaC32H38O15
  • Average mass662.635 Da
  • Monoisotopic mass662.221069 Da
  • ChemSpider ID22913692
  • 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)-3-(2-hydroxyéthylidène)-4-{2-[2-(4-hydroxyphényl)éthoxy]-2-oxoéthyl}-3,4-dihydro-2H-pyrane-5-carboxylate de 2-(3,4-dihydroxyphényl)éthyle [French] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl (2S,3Z,4S)-2-(β-D-glucopyranosyloxy)-3-(2-hydroxyethylidene)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylate [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)ethyl-(2S,3Z,4S)-2-(β-D-glucopyranosyloxy)-3-(2-hydroxyethyliden)-4-{2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl}-3,4-dihydro-2H-pyran-5-carboxylat [German] [ACD/IUPAC Name]
2H-Pyran-4-acetic acid, 5-[[2-(3,4-dihydroxyphenyl)ethoxy]carbonyl]-2-(β-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-, 2-(4-hydroxyphenyl)ethyl ester, (2S,3Z,4S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 941.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.5±3.0 kJ/mol
Flash Point: 299.7±27.8 °C
Index of Refraction: 1.673
Molar Refractivity: 160.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -0.78
ACD/LogD (pH 5.5): -0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.20
ACD/LogD (pH 7.4): -0.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.02
Polar Surface Area: 242 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 89.5±5.0 dyne/cm
Molar Volume: 427.9±5.0 cm3

Click to predict properties on the Chemicalize site






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