ChemSpider 2D Image | N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethoxy]isophthalamide | C17H22I3N3O8

N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethoxy]isophthalamide

  • Molecular FormulaC17H22I3N3O8
  • Average mass777.085 Da
  • Monoisotopic mass776.854065 Da
  • ChemSpider ID9414755

More details:

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

1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethoxy]- [ACD/Index Name]
N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiod-5-[2-(methylamino)-2-oxoethoxy]isophthalamid [German] [ACD/IUPAC Name]
N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[2-(méthylamino)-2-oxoéthoxy]isophtalamide [French] [ACD/IUPAC Name]
N,N'-Bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[2-(methylamino)-2-oxoethoxy]isophthalamide [ACD/IUPAC Name]
N,N'-BIS-(2,3-DIHYDROXY-PROPYL)-2,4,6-TRIIODO-5-METHYLCARBAMOYLMETHOXY-ISOPHTHALAMIDE

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

Density: 2.2±0.1 g/cm3
Boiling Point: 812.8±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: 445.4±34.3 °C
Index of Refraction: 1.692
Molar Refractivity: 136.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.48
ACD/LogD (pH 5.5): -2.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.22
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.22
Polar Surface Area: 177 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 75.7±3.0 dyne/cm
Molar Volume: 356.1±3.0 cm3

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