ChemSpider 2D Image | N,N'-Bis(2,3-dihydroxypropyl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodoisophthalamide | C17H22I3N3O8

N,N'-Bis(2,3-dihydroxypropyl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodoisophthalamide

  • Molecular FormulaC17H22I3N3O8
  • Average mass777.085 Da
  • Monoisotopic mass776.854065 Da
  • ChemSpider ID8051220

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

1,3-Benzenedicarboxamide, N1,N3-bis(2,3-dihydroxypropyl)-5-[[(2S)-2-hydroxy-1-oxopropyl]amino]-2,4,6-triiodo- [ACD/Index Name]
N,N'-Bis(2,3-dihydroxypropyl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
N,N'-Bis(2,3-dihydroxypropyl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
N,N'-Bis(2,3-dihydroxypropyl)-5-{[(2S)-2-hydroxypropanoyl]amino}-2,4,6-triiodoisophthalamide [ACD/IUPAC Name]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 781.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 119.3±3.0 kJ/mol
Flash Point: 426.5±32.9 °C
Index of Refraction: 1.739
Molar Refractivity: 137.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.20
ACD/LogD (pH 5.5): -2.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 86.5±3.0 dyne/cm
Molar Volume: 340.6±3.0 cm3

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