ChemSpider 2D Image | 3-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]propyl 3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]propanoate | C31H42O16

3-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]propyl 3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]propanoate

  • Molecular FormulaC31H42O16
  • Average mass670.656 Da
  • Monoisotopic mass670.247314 Da
  • ChemSpider ID9072945

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

3-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]propyl 3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]propanoate [ACD/IUPAC Name]
3-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]propyl-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]propanoat [German] [ACD/IUPAC Name]
3-[4-(β-D-Glucopyranosyloxy)-3-méthoxyphényl]propanoate de 3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphényl]propyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-(β-D-glucopyranosyloxy)-3-methoxy-, 3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]propyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 927.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 294.2±27.8 °C
Index of Refraction: 1.634
Molar Refractivity: 160.6±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -2.14
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.03
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.00
Polar Surface Area: 255 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 68.4±3.0 dyne/cm
Molar Volume: 449.1±3.0 cm3

Click to predict properties on the Chemicalize site


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