ChemSpider 2D Image | N-(2,3-Dihydroxypropyl)-5-[(2,3-dihydroxypropyl)(1-hydroxyvinyl)amino]-N'-(2-hydroxyethyl)-2,4,6-triiodoisophthalamide | C18H24I3N3O8

N-(2,3-Dihydroxypropyl)-5-[(2,3-dihydroxypropyl)(1-hydroxyvinyl)amino]-N'-(2-hydroxyethyl)-2,4,6-triiodoisophthalamide

  • Molecular FormulaC18H24I3N3O8
  • Average mass791.112 Da
  • Monoisotopic mass790.869690 Da
  • ChemSpider ID95789915

More details:

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

1,3-Benzenedicarboxamide, N1-(2,3-dihydroxypropyl)-5-[(2,3-dihydroxypropyl)(1-hydroxyethenyl)amino]-N3-(2-hydroxyethyl)-2,4,6-triiodo- [ACD/Index Name]
N-(2,3-Dihydroxypropyl)-5-[(2,3-dihydroxypropyl)(1-hydroxyvinyl)amino]-N'-(2-hydroxyethyl)-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
N-(2,3-Dihydroxypropyl)-5-[(2,3-dihydroxypropyl)(1-hydroxyvinyl)amino]-N'-(2-hydroxyéthyl)-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
N-(2,3-Dihydroxypropyl)-5-[(2,3-dihydroxypropyl)(1-hydroxyvinyl)amino]-N'-(2-hydroxyethyl)-2,4,6-triiodoisophthalamide [ACD/IUPAC Name]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 770.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 419.6±32.9 °C
Index of Refraction: 1.742
Molar Refractivity: 143.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -3.21
ACD/LogD (pH 5.5): -2.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.18
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 183 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 87.0±3.0 dyne/cm
Molar Volume: 354.1±3.0 cm3

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