ChemSpider 2D Image | Methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-(hexopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate | C25H32O13

Methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-(hexopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate

  • Molecular FormulaC25H32O13
  • Average mass540.514 Da
  • Monoisotopic mass540.184265 Da
  • ChemSpider ID3017618

More details:

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

251-129-6 [EINECS]
2H-Pyran-4-acetic acid, 3-ethylidene-2-(hexopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, 2-(3,4-dihydroxyphenyl)ethyl ester [ACD/Index Name]
32619-42-4 [RN]
4-{2-[2-(3,4-Dihydroxyphényl)éthoxy]-2-oxoéthyl}-3-éthylidène-2-(hexopyranosyloxy)-3,4-dihydro-2H-pyrane-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-(hexopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate [ACD/IUPAC Name]
Methyl-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethyliden-2-(hexopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylat [German] [ACD/IUPAC Name]
2-(3,4-dihydroxyphenyl)ethyl [2S-(2α,3E,4β)]-3-ethylidene-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 772.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.0±3.0 kJ/mol
Flash Point: 257.0±26.4 °C
Index of Refraction: 1.630
Molar Refractivity: 128.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.68
ACD/LogD (pH 7.4): -0.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.58
Polar Surface Area: 202 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 78.2±5.0 dyne/cm
Molar Volume: 359.8±5.0 cm3

Click to predict properties on the Chemicalize site


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