ChemSpider 2D Image | N,N'-Bis[(2S)-2,3-dihydroxypropyl]-5-[glycoloyl(methyl)amino]-2,4,6-triiodoisophthalamide | C17H22I3N3O8

N,N'-Bis[(2S)-2,3-dihydroxypropyl]-5-[glycoloyl(methyl)amino]-2,4,6-triiodoisophthalamide

  • Molecular FormulaC17H22I3N3O8
  • Average mass777.085 Da
  • Monoisotopic mass776.854065 Da
  • ChemSpider ID34988925

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N1,N3-bis[(2S)-2,3-dihydroxypropyl]-5-[(2-hydroxyacetyl)methylamino]-2,4,6-triiodo- [ACD/Index Name]
N,N'-Bis[(2S)-2,3-dihydroxypropyl]-5-[(2-hydroxyacétyl)(méthyl)amino]-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
N,N'-Bis[(2S)-2,3-dihydroxypropyl]-5-[glycoloyl(methyl)amino]-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
N,N'-Bis[(2S)-2,3-dihydroxypropyl]-5-[glycoloyl(methyl)amino]-2,4,6-triiodoisophthalamide [ACD/IUPAC Name]
78649-41-9 [RN]
Iomeprol
UNII-17E17JBP8L

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

Density: 2.3±0.1 g/cm3
Boiling Point: 813.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 123.9±3.0 kJ/mol
Flash Point: 445.6±34.3 °C
Index of Refraction: 1.735
Molar Refractivity: 137.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.08
ACD/LogD (pH 5.5): -2.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

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