ChemSpider 2D Image | N,N'-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxy-3-methoxypropyl)(1-hydroxyvinyl)amino]-2,4,6-triiodoisophthalamide | C20H28I3N3O9

N,N'-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxy-3-methoxypropyl)(1-hydroxyvinyl)amino]-2,4,6-triiodoisophthalamide

  • Molecular FormulaC20H28I3N3O9
  • Average mass835.164 Da
  • Monoisotopic mass834.895935 Da
  • ChemSpider ID95640055

More details:

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

1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-5-[(1-hydroxyethenyl)(2-hydroxy-3-methoxypropyl)amino]-2,4,6-triiodo- [ACD/Index Name]
N,N'-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxy-3-methoxypropyl)(1-hydroxyvinyl)amino]-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
N,N'-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxy-3-méthoxypropyl)(1-hydroxyvinyl)amino]-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
N,N'-Bis(2,3-dihydroxypropyl)-5-[(2-hydroxy-3-methoxypropyl)(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: 2.1±0.1 g/cm3
Boiling Point: 829.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 455.7±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -2.94
ACD/LogD (pH 5.5): -2.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.27
ACD/LogD (pH 7.4): -2.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.25
Polar Surface Area: 192 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 80.1±3.0 dyne/cm
Molar Volume: 393.8±3.0 cm3

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