ChemSpider 2D Image | 5-(1,2-Dihydroxyethyl)-4-hydroxy-3-{3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propoxy}-2(5H)-furanone | C17H18N2O9

5-(1,2-Dihydroxyethyl)-4-hydroxy-3-{3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propoxy}-2(5H)-furanone

  • Molecular FormulaC17H18N2O9
  • Average mass394.333 Da
  • Monoisotopic mass394.101227 Da
  • ChemSpider ID24706309

More details:

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

5-(1,2-Dihydroxyethyl)-4-hydroxy-3-{3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propoxy}-2(5H)-furanon [German] [ACD/IUPAC Name]
5-(1,2-Dihydroxyethyl)-4-hydroxy-3-{3-[(5-oxido-4-phenyl-1,2,5-oxadiazol-3-yl)oxy]propoxy}-2(5H)-furanone [ACD/IUPAC Name]
5-(1,2-Dihydroxyéthyl)-4-hydroxy-3-{3-[(5-oxydo-4-phényl-1,2,5-oxadiazol-3-yl)oxy]propoxy}-2(5H)-furanone [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL494607/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 722.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 390.7±35.7 °C
Index of Refraction: 1.645
Molar Refractivity: 90.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 248.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement