ChemSpider 2D Image | 2-(Glycoloylamino)phenyl beta-D-glucopyranosiduronic acid | C14H17NO9

2-(Glycoloylamino)phenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC14H17NO9
  • Average mass343.286 Da
  • Monoisotopic mass343.090332 Da
  • ChemSpider ID128424178

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(Glycoloylamino)phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-(Glycoloylamino)phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acetamide, N-[2-(β-D-glucopyranuronosyloxy)phenyl]-2-hydroxy- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de 2-[(2-hydroxyacétyl)amino]phényle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 709.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.700
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.36
ACD/LogD (pH 5.5): -5.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 107.9±3.0 dyne/cm
Molar Volume: 200.8±3.0 cm3

Click to predict properties on the Chemicalize site


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