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Search term: 62917133 (Found by CSID)
ChemSpider 2D Image | 1-O-[2-(2-Fluoro-4-biphenylyl)propanoyl]-beta-D-glucopyranuronic acid | C21H21FO8

1-O-[2-(2-Fluoro-4-biphenylyl)propanoyl]-β-D-glucopyranuronic acid

  • Molecular FormulaC21H21FO8
  • Average mass420.385 Da
  • Monoisotopic mass420.122040 Da
  • ChemSpider ID62917133

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

1-O-[2-(2-Fluor-4-biphenylyl)propanoyl]-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
1-O-[2-(2-Fluoro-4-biphenylyl)propanoyl]-β-D-glucopyranuronic acid [ACD/IUPAC Name]
Acide 1-O-[2-(2-fluoro-4-biphénylyl)propanoyl]-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-[2-(2-fluoro[1,1'-biphenyl]-4-yl)propanoate] [ACD/Index Name]
91683-37-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 616.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 326.5±31.5 °C
Index of Refraction: 1.636
Molar Refractivity: 100.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 72.3±5.0 dyne/cm
Molar Volume: 281.6±5.0 cm3

Click to predict properties on the Chemicalize site


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