ChemSpider 2D Image | 5-(beta-D-Glucopyranosyloxy)-2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methylphenyl 2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C34H38O17

5-(β-D-Glucopyranosyloxy)-2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methylphenyl 2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC34H38O17
  • Average mass718.655 Da
  • Monoisotopic mass718.210876 Da
  • ChemSpider ID4946994

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2H-Pyran-2-one, 6-[4-(β-D-glucopyranosyloxy)-2-[[2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-6-methylphenyl]-4-methoxy- [ACD/Index Name]
2-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 5-(β-D-glucopyranosyloxy)-2-(4-méthoxy-2-oxo-2H-pyran-6-yl)-3-méthylphényle [French] [ACD/IUPAC Name]
5-(β-D-Glucopyranosyloxy)-2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methylphenyl 2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
5-(β-D-Glucopyranosyloxy)-2-(4-methoxy-2-oxo-2H-pyran-6-yl)-3-methylphenyl-2-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
106533-41-9 [RN]
2H-PYRAN-2-ONE, 6-[4-(B-D-GLUCOPYRANOSYLOXY)-2-[[2-O-[(2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPENYL]-B-D-GLUCOPYRANOSYL]OXY]-6-METHYLPHENYL]-4-METHOXY-(9CI)

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1047.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.6±3.0 kJ/mol
Flash Point: 330.4±27.8 °C
Index of Refraction: 1.689
Molar Refractivity: 170.9±0.4 cm3
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 0.47
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.18
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.11
Polar Surface Area: 261 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 92.3±5.0 dyne/cm
Molar Volume: 447.6±5.0 cm3

Click to predict properties on the Chemicalize site


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