ChemSpider 2D Image | 2-O-[3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-1-deoxy-1-(methylamino)-D-glucitol | C18H24I3N3O8

2-O-[3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-1-deoxy-1-(methylamino)-D-glucitol

  • Molecular FormulaC18H24I3N3O8
  • Average mass791.112 Da
  • Monoisotopic mass790.869690 Da
  • ChemSpider ID88297859

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-O-[3-Acetamido-2,4,6-triiod-5-(methylcarbamoyl)benzoyl]-1-desoxy-1-(methylamino)-D-glucitol [German] [ACD/IUPAC Name]
2-O-[3-Acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]-1-deoxy-1-(methylamino)-D-glucitol [ACD/IUPAC Name]
2-O-[3-Acétamido-2,4,6-triiodo-5-(méthylcarbamoyl)benzoyl]-1-désoxy-1-(méthylamino)-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 1-deoxy-1-(methylamino)-, 2-[3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate] [ACD/Index Name]
13087-53-1 [RN]
IOTHALAMATE MEGLUMINE [USP]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 904.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.8±3.0 kJ/mol
Flash Point: 501.0±34.3 °C
Index of Refraction: 1.703
Molar Refractivity: 142.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.99
ACD/LogD (pH 5.5): -3.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 366.4±3.0 cm3

Click to predict properties on the Chemicalize site


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