ChemSpider 2D Image | 1,4:3,6-Dianhydro-2-O-{[2-(ethylsulfanyl)-1,2-dihydro-3-pyridinyl]carbonyl}-5-O-nitro-D-glucitol | C14H18N2O7S

1,4:3,6-Dianhydro-2-O-{[2-(ethylsulfanyl)-1,2-dihydro-3-pyridinyl]carbonyl}-5-O-nitro-D-glucitol

  • Molecular FormulaC14H18N2O7S
  • Average mass358.367 Da
  • Monoisotopic mass358.083466 Da
  • ChemSpider ID57524873

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1,4:3,6-Dianhydro-2-O-{[2-(ethylsulfanyl)-1,2-dihydro-3-pyridinyl]carbonyl}-5-O-nitro-D-glucitol [German] [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-O-{[2-(ethylsulfanyl)-1,2-dihydro-3-pyridinyl]carbonyl}-5-O-nitro-D-glucitol [ACD/IUPAC Name]
1,4:3,6-Dianhydro-2-O-{[2-(éthylsulfanyl)-1,2-dihydro-3-pyridinyl]carbonyl}-5-O-nitro-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1,4:3,6-dianhydro-2-O-[[2-(ethylthio)-1,2-dihydro-3-pyridinyl]carbonyl]-, 5-nitrate [ACD/Index Name]
263754-97-8 [RN]
LA 419

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

Density: 1.4±0.1 g/cm3
Boiling Point: 539.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.3±30.1 °C
Index of Refraction: 1.602
Molar Refractivity: 85.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 9.07
ACD/KOC (pH 5.5): 167.82
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 9.22
ACD/KOC (pH 7.4): 170.71
Polar Surface Area: 137 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 247.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement