ChemSpider 2D Image | 4'-[(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-4-biphenylcarbonitrile | C27H27NO10

4'-[(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4-biphenylcarbonitrile

  • Molecular FormulaC27H27NO10
  • Average mass525.504 Da
  • Monoisotopic mass525.163513 Da
  • ChemSpider ID8943735

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[1,1'-Biphenyl]-4-carbonitrile, 4'-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]- [ACD/Index Name]
4'-[(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4-biphenylcarbonitril [German] [ACD/IUPAC Name]
4'-[(2,3,4,6-Tetra-O-acetyl-β-D-glucopyranosyl)oxy]-4-biphenylcarbonitrile [ACD/IUPAC Name]
4'-[(2,3,4,6-Tétra-O-acétyl-β-D-glucopyranosyl)oxy]-4-biphénylcarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 629.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 267.3±21.7 °C
Index of Refraction: 1.571
Molar Refractivity: 129.6±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 250.87
ACD/KOC (pH 5.5): 1816.08
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 250.87
ACD/KOC (pH 7.4): 1816.08
Polar Surface Area: 147 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 394.7±5.0 cm3

Click to predict properties on the Chemicalize site


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