ChemSpider 2D Image | 2-({3-Acetamido-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoyl}amino)-2-deoxy-D-glucitol | C18H24I3N3O8

2-({3-Acetamido-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoyl}amino)-2-deoxy-D-glucitol

  • Molecular FormulaC18H24I3N3O8
  • Average mass791.112 Da
  • Monoisotopic mass790.869690 Da
  • ChemSpider ID19993460

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-({3-Acetamido-2,4,6-triiod-5-[(2-oxopropyl)amino]benzoyl}amino)-2-desoxy-D-glucitol [German] [ACD/IUPAC Name]
2-({3-Acetamido-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoyl}amino)-2-deoxy-D-glucitol [ACD/IUPAC Name]
2-({3-Acétamido-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoyl}amino)-2-désoxy-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 2-((3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl)amino)-2-deoxy-
D-Glucitol, 2-[[3-(acetylamino)-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoyl]amino]-2-deoxy- [ACD/Index Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 988.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.0±3.0 kJ/mol
Flash Point: 551.8±34.3 °C
Index of Refraction: 1.748
Molar Refractivity: 142.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.15
ACD/LogD (pH 5.5): -2.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.81
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 188 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 86.0±3.0 dyne/cm
Molar Volume: 350.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement