ChemSpider 2D Image | 3,3'-Dichloro-4-biphenylyl alpha-D-mannopyranoside | C18H18Cl2O6

3,3'-Dichloro-4-biphenylyl α-D-mannopyranoside

  • Molecular FormulaC18H18Cl2O6
  • Average mass401.238 Da
  • Monoisotopic mass400.048035 Da
  • ChemSpider ID76790231

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3,3'-Dichlor-4-biphenylyl-α-D-mannopyranosid [German] [ACD/IUPAC Name]
3,3'-Dichloro-4-biphenylyl α-D-mannopyranoside [ACD/IUPAC Name]
α-D-Mannopyranoside de 3,3'-dichloro-4-biphénylyle [French] [ACD/IUPAC Name]
α-D-Mannopyranoside, 3,3'-dichloro[1,1'-biphenyl]-4-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: 622.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.4±31.5 °C
Index of Refraction: 1.645
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.74
ACD/BCF (pH 5.5): 12.29
ACD/KOC (pH 5.5): 209.71
ACD/LogD (pH 7.4): 1.74
ACD/BCF (pH 7.4): 12.29
ACD/KOC (pH 7.4): 209.70
Polar Surface Area: 99 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 60.9±3.0 dyne/cm
Molar Volume: 265.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement