ChemSpider 2D Image | N~1~,N~3~-Bis(1,3-dihydroxy-2-propanyl)-N~5~-[(1S)-1-hydroxyethyl]-2,4,6-triiodo-1,3,5-benzenetricarboxamide | C17H22I3N3O8

N1,N3-Bis(1,3-dihydroxy-2-propanyl)-N5-[(1S)-1-hydroxyethyl]-2,4,6-triiodo-1,3,5-benzenetricarboxamide

  • Molecular FormulaC17H22I3N3O8
  • Average mass777.085 Da
  • Monoisotopic mass776.854065 Da
  • ChemSpider ID13168764

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3,5-Benzenetricarboxamide, N1-[(1S)-1-hydroxyethyl]-N3,N5-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo- [ACD/Index Name]
N1,N3-Bis(1,3-dihydroxy-2-propanyl)-N5-[(1S)-1-hydroxyethyl]-2,4,6-triiod-1,3,5-benzoltricarboxamid [German] [ACD/IUPAC Name]
N1,N3-Bis(1,3-dihydroxy-2-propanyl)-N5-[(1S)-1-hydroxyethyl]-2,4,6-triiodo-1,3,5-benzenetricarboxamide [ACD/IUPAC Name]
N1,N3-Bis(1,3-dihydroxy-2-propanyl)-N5-[(1S)-1-hydroxyéthyl]-2,4,6-triiodo-1,3,5-benzènetricarboxamide [French] [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: 744.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.0±3.0 kJ/mol
Flash Point: 404.3±32.9 °C
Index of Refraction: 1.714
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.99
ACD/LogD (pH 5.5): -2.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.02
ACD/LogD (pH 7.4): -2.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.02
Polar Surface Area: 188 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 82.4±3.0 dyne/cm
Molar Volume: 347.9±3.0 cm3

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