ChemSpider 2D Image | 2-({3-Acetamido-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoyl}amino)-2-deoxy-D-glucose | C18H22I3N3O8

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

  • Molecular FormulaC18H22I3N3O8
  • Average mass789.096 Da
  • Monoisotopic mass788.854065 Da
  • ChemSpider ID16739316

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-((3-(Acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl)amino)-2-deoxy-D-glucose
2-({3-Acetamido-2,4,6-triiod-5-[(2-oxopropyl)amino]benzoyl}amino)-2-desoxy-D-glucose [German] [ACD/IUPAC Name]
2-({3-Acetamido-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoyl}amino)-2-deoxy-D-glucose [ACD/IUPAC Name]
2-({3-Acétamido-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoyl}amino)-2-désoxy-D-glucose [French] [ACD/IUPAC Name]
2-[[3-(Acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl]amino]-2-deoxy-D-glucose
D-Glucose, 2-((3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl)amino)-2-deoxy-
D-Glucose, 2-[[3-(acetylamino)-2,4,6-triiodo-5-[(2-oxopropyl)amino]benzoyl]amino]-2-deoxy- [ACD/Index Name]
31112-62-6 [RN]
3-acetamido-2,4,6-triiodo-5-[(2-oxopropyl)amino]-N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]benzamide
D-Glucose, 2-[[3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl]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: 883.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.5±3.0 kJ/mol
Flash Point: 488.1±34.3 °C
Index of Refraction: 1.739
Molar Refractivity: 141.1±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.83
ACD/LogD (pH 7.4): -1.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.83
Polar Surface Area: 185 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 83.7±3.0 dyne/cm
Molar Volume: 350.1±3.0 cm3

Click to predict properties on the Chemicalize site


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