ChemSpider 2D Image | 4-[2-Amino-3-(hexopyranosyloxy)phenyl]-4-oxobutanoic acid | C16H21NO9

4-[2-Amino-3-(hexopyranosyloxy)phenyl]-4-oxobutanoic acid

  • Molecular FormulaC16H21NO9
  • Average mass371.339 Da
  • Monoisotopic mass371.121643 Da
  • ChemSpider ID57487678

More details:

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

4-[2-Amino-3-(hexopyranosyloxy)phenyl]-4-oxobutanoic acid [ACD/IUPAC Name]
4-[2-Amino-3-(hexopyranosyloxy)phenyl]-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-[2-amino-3-(hexopyranosyloxy)phényl]-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 2-amino-3-(hexopyranosyloxy)-γ-oxo- [ACD/Index Name]
4-(2-AMINO-3-HYDROXYPHENYL)-4-OXOBUTANOIC ACID O-GLUCOSIDE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 701.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.1±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 87.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -2.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 79.1±3.0 dyne/cm
Molar Volume: 238.0±3.0 cm3

Click to predict properties on the Chemicalize site


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