ChemSpider 2D Image | ({2'-[(2,3,4,6-Tetra-O-acetyl-alpha-D-mannopyranosyl)oxy]-2-biphenylyl}oxy)acetic acid | C28H30O13

({2'-[(2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl)oxy]-2-biphenylyl}oxy)acetic acid

  • Molecular FormulaC28H30O13
  • Average mass574.530 Da
  • Monoisotopic mass574.168640 Da
  • ChemSpider ID8992260

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

({2'-[(2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl)oxy]-2-biphenylyl}oxy)acetic acid [ACD/IUPAC Name]
({2'-[(2,3,4,6-Tetra-O-acetyl-α-D-mannopyranosyl)oxy]-2-biphenylyl}oxy)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2'-[(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)oxy][1,1'-biphenyl]-2-yl]oxy]- [ACD/Index Name]
Acide ({2'-[(2,3,4,6-tétra-O-acétyl-α-D-mannopyranosyl)oxy]-2-biphénylyl}oxy)acétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 201.1±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 137.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.90
ACD/LogD (pH 7.4): -0.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 170 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 417.1±5.0 cm3

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