ChemSpider 2D Image | 1-Deoxy-1-{[N-(3,5-diacetamido-2,4,6-triiodobenzoyl)-N-methylglycyl](methyl)amino}hexitol | C21H29I3N4O9

1-Deoxy-1-{[N-(3,5-diacetamido-2,4,6-triiodobenzoyl)-N-methylglycyl](methyl)amino}hexitol

  • Molecular FormulaC21H29I3N4O9
  • Average mass862.190 Da
  • Monoisotopic mass861.906860 Da
  • ChemSpider ID59262

More details:






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

1-Deoxy-1-{[N-(3,5-diacetamido-2,4,6-triiodobenzoyl)-N-methylglycyl](methyl)amino}hexitol [ACD/IUPAC Name]
1-Desoxy-1-{[N-(3,5-diacetamido-2,4,6-triiodbenzoyl)-N-methylglycyl](methyl)amino}hexitol [German] [ACD/IUPAC Name]
1-Désoxy-1-{[N-(3,5-diacétamido-2,4,6-triiodobenzoyl)-N-méthylglycyl](méthyl)amino}hexitol [French] [ACD/IUPAC Name]
Hexitol, 1-[[2-[[3,5-bis(acetylamino)-2,4,6-triiodobenzoyl]methylamino]acetyl]methylamino]-1-deoxy- [ACD/Index Name]
3,5-diacetamido-2,4,6-triiodo-N-methyl-N-[2-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-2-oxoethyl]benzamide
iosarcol [INN]
Iosarcolum [Latin]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 1072.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 164.7±3.0 kJ/mol
Flash Point: 602.5±34.3 °C
Index of Refraction: 1.727
Molar Refractivity: 160.2±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.27
ACD/LogD (pH 5.5): -2.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 402.6±3.0 cm3

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