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

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

  • Molecular FormulaC18H24I3N3O8
  • Average mass791.112 Da
  • Monoisotopic mass790.869690 Da
  • ChemSpider ID10444468

More details:

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

1,3-Benzenedicarboxamide, 5-[acetyl(2-hydroxyethyl)amino]-N1,N3-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo- [ACD/Index Name]
5-[Acetyl(2-hydroxyethyl)amino]-N,N'-bis(1,3-dihydroxy-2-propanyl)-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
5-[Acétyl(2-hydroxyéthyl)amino]-N,N'-bis(1,3-dihydroxy-2-propanyl)-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
5-[Acetyl(2-hydroxyethyl)amino]-N,N'-bis(1,3-dihydroxy-2-propanyl)-2,4,6-triiodoisophthalamide [ACD/IUPAC Name]
1,3-BENZENEDICARBOXAMIDE,5-[ACETYL(2-HYDROXYETHYL)AMINO]-N1,N3-BIS[2-HYDROXY-1-(HYDROXYMETHYL)ETHYL]-2,4,6-TRIIODO-
88116-58-9 [RN]
Isophthalamide, N,N'-bis(2-hydroxy-1-(hydroxymethyl)ethyl)-5-(N-(2-hydroxyethyl)acetamido)-2,4,6-triiodo-

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

Density: 2.2±0.1 g/cm3
Boiling Point: 831.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 456.7±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 142.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.10
ACD/LogD (pH 5.5): -2.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.60
ACD/LogD (pH 7.4): -2.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 180 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 83.5±3.0 dyne/cm
Molar Volume: 358.8±3.0 cm3

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