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

N,N'-Bis(1,3-dihydroxy-2-propanyl)-5-[(2-hydroxyethyl)(1-hydroxyvinyl)amino]-2,4,6-triiodoisophthalamide

  • Molecular FormulaC18H24I3N3O8
  • Average mass791.112 Da
  • Monoisotopic mass790.869690 Da
  • ChemSpider ID95755134

More details:

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

1,3-Benzenedicarboxamide, 5-[(1-hydroxyethenyl)(2-hydroxyethyl)amino]-N1,N3-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo- [ACD/Index Name]
N,N'-Bis(1,3-dihydroxy-2-propanyl)-5-[(2-hydroxyethyl)(1-hydroxyvinyl)amino]-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
N,N'-Bis(1,3-dihydroxy-2-propanyl)-5-[(2-hydroxyéthyl)(1-hydroxyvinyl)amino]-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
N,N'-Bis(1,3-dihydroxy-2-propanyl)-5-[(2-hydroxyethyl)(1-hydroxyvinyl)amino]-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: 800.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 438.0±34.3 °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: -2.10
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.04
ACD/LogD (pH 7.4): -1.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.01
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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