ChemSpider 2D Image | N,N'-Bis[(2R)-2,3-dihydroxypropyl]-5-[glycoloyl(2-hydroxyethyl)amino]-2,4,6-triiodoisophthalamide | C18H24I3N3O9

N,N'-Bis[(2R)-2,3-dihydroxypropyl]-5-[glycoloyl(2-hydroxyethyl)amino]-2,4,6-triiodoisophthalamide

  • Molecular FormulaC18H24I3N3O9
  • Average mass807.111 Da
  • Monoisotopic mass806.864624 Da
  • ChemSpider ID5036729
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,3-Benzenedicarboxamide, N1,N3-bis[(2R)-2,3-dihydroxypropyl]-5-[(2-hydroxyacetyl)(2-hydroxyethyl)amino]-2,4,6-triiodo- [ACD/Index Name]
N,N'-Bis[(2R)-2,3-dihydroxypropyl]-5-[(2-hydroxyacétyl)(2-hydroxyéthyl)amino]-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
N,N'-Bis[(2R)-2,3-dihydroxypropyl]-5-[glycoloyl(2-hydroxyethyl)amino]-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
N,N'-Bis[(2R)-2,3-dihydroxypropyl]-5-[glycoloyl(2-hydroxyethyl)amino]-2,4,6-triiodoisophthalamide [ACD/IUPAC Name]

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

NCGC00016956-01 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.3±0.1 g/cm3
Boiling Point: 864.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.7±3.0 kJ/mol
Flash Point: 476.9±34.3 °C
Index of Refraction: 1.739
Molar Refractivity: 143.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -4.01
ACD/LogD (pH 5.5): -3.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 91.3±3.0 dyne/cm
Molar Volume: 356.3±3.0 cm3

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