ChemSpider 2D Image | Methyl 3'-chloro-4'-(alpha-D-mannopyranosyloxy)-4-biphenylcarboxylate | C20H21ClO8

Methyl 3'-chloro-4'-(α-D-mannopyranosyloxy)-4-biphenylcarboxylate

  • Molecular FormulaC20H21ClO8
  • Average mass424.829 Da
  • Monoisotopic mass424.092499 Da
  • ChemSpider ID26630285
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

[1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-4'-(α-D-mannopyranosyloxy)-, methyl ester [ACD/Index Name]
3'-Chloro-4'-(α-D-mannopyranosyloxy)-4-biphénylcarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3'-chloro-4'-(α-D-mannopyranosyloxy)-4-biphenylcarboxylate [ACD/IUPAC Name]
Methyl-3'-chlor-4'-(α-D-mannopyranosyloxy)-4-biphenylcarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 649.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 346.6±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 103.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.49
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 8.98
ACD/KOC (pH 5.5): 167.42
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 8.98
ACD/KOC (pH 7.4): 167.42
Polar Surface Area: 126 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 291.6±3.0 cm3

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