ChemSpider 2D Image | 5'-Allyl-2'-(beta-D-glucopyranosyloxy)-5-(1-hydroxy-2-propen-1-yl)-2-biphenylyl beta-D-glucopyranosiduronic acid | C30H36O14

5'-Allyl-2'-(β-D-glucopyranosyloxy)-5-(1-hydroxy-2-propen-1-yl)-2-biphenylyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC30H36O14
  • Average mass620.598 Da
  • Monoisotopic mass620.210510 Da
  • ChemSpider ID90664607

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

5'-Allyl-2'-(β-D-glucopyranosyloxy)-5-(1-hydroxy-2-propen-1-yl)-2-biphenylyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
5'-Allyl-2'-(β-D-glucopyranosyloxy)-5-(1-hydroxy-2-propen-1-yl)-2-biphenylyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 5'-allyl-2'-(β-D-glucopyranosyloxy)-5-(1-hydroxy-2-propén-1-yl)-2-biphénylyle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 2'-(β-D-glucopyranosyloxy)-5-(1-hydroxy-2-propen-1-yl)-5'-(2-propen-1-yl)[1,1'-biphenyl]-2-yl [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: 873.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.0±3.0 kJ/mol
Flash Point: 282.0±27.8 °C
Index of Refraction: 1.661
Molar Refractivity: 151.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -4.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 80.8±3.0 dyne/cm
Molar Volume: 409.6±3.0 cm3

Click to predict properties on the Chemicalize site


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