ChemSpider 2D Image | Methyl 2'-[(2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl)oxy]-3-biphenylcarboxylate | C28H30O12

Methyl 2'-[(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)oxy]-3-biphenylcarboxylate

  • Molecular FormulaC28H30O12
  • Average mass558.531 Da
  • Monoisotopic mass558.173706 Da
  • ChemSpider ID8802000

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

[1,1'-Biphenyl]-3-carboxylic acid, 2'-[(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)oxy]-, methyl ester [ACD/Index Name]
2'-[(2,3,4,6-Tétra-O-acétyl-α-D-mannopyranosyl)oxy]-3-biphénylcarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2'-[(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)oxy]-3-biphenylcarboxylate [ACD/IUPAC Name]
Methyl-2'-[(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)oxy]-3-biphenylcarboxylat [German] [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: 619.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 260.3±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 136.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 563.25
ACD/KOC (pH 5.5): 3240.05
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 563.25
ACD/KOC (pH 7.4): 3240.05
Polar Surface Area: 150 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 419.9±5.0 cm3

Click to predict properties on the Chemicalize site


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