ChemSpider 2D Image | 5-[Acetyl(2,3-dihydroxypropyl)amino]-N-(2,3-dihydroxypropyl)-N'-[2-hydroxy(~2~H_4_)ethyl]-2,4,6-triiodoisophthalamide | C18H20D4I3N3O8

5-[Acetyl(2,3-dihydroxypropyl)amino]-N-(2,3-dihydroxypropyl)-N'-[2-hydroxy(2H4)ethyl]-2,4,6-triiodoisophthalamide

  • Molecular FormulaC18H20D4I3N3O8
  • Average mass795.136 Da
  • Monoisotopic mass794.894836 Da
  • ChemSpider ID48060056

  • Non-standard isotope - Non-standard isotope

More details:

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

1,3-Benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N1-(2,3-dihydroxypropyl)-N3-(2-hydroxyethyl-1,1,2,2-d4)-2,4,6-triiodo- [ACD/Index Name]
5-[Acetyl(2,3-dihydroxypropyl)amino]-N-(2,3-dihydroxypropyl)-N'-[2-hydroxy(2H4)ethyl]-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
5-[Acétyl(2,3-dihydroxypropyl)amino]-N-(2,3-dihydroxypropyl)-N'-[2-hydroxy(2H4)éthyl]-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
5-[Acetyl(2,3-dihydroxypropyl)amino]-N-(2,3-dihydroxypropyl)-N'-[2-hydroxy(2H4)ethyl]-2,4,6-triiodoisophthalamide [ACD/IUPAC Name]
1346598-82-0 [RN]
5-[acetyl(2,3-dihydroxypropyl)amino]-1-N-(2,3-dihydroxypropyl)-2,4,6-triiodo-3-N-(1,1,2,2-tetradeuterio-2-hydroxyethyl)benzene-1,3-dicarboxamide

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

Density: 2.2±0.1 g/cm3
Boiling Point: 827.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 454.4±34.3 °C
Index of Refraction: 1.722
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: -3.41
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 83.5±3.0 dyne/cm
Molar Volume: 358.8±3.0 cm3

Click to predict properties on the Chemicalize site


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