ChemSpider 2D Image | iosarcol | C21H29I3N4O9

iosarcol

  • Molecular FormulaC21H29I3N4O9
  • Average mass862.190 Da
  • Monoisotopic mass861.906860 Da
  • ChemSpider ID8593571
  • defined stereocentres - 4 of 4 defined stereocentres


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}-D-glucitol [ACD/IUPAC Name]
1-Desoxy-1-{[N-(3,5-diacetamido-2,4,6-triiodbenzoyl)-N-methylglycyl](methyl)amino}-D-glucitol [German] [ACD/IUPAC Name]
1-Désoxy-1-{[N-(3,5-diacétamido-2,4,6-triiodobenzoyl)-N-méthylglycyl](méthyl)amino}-D-glucitol [French] [ACD/IUPAC Name]
3,5-Diacetamido-2,4,6-triiodo-N-methyl-N((methyl(D-gluco-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)methyl)benzamide
4DSD895OGC
5832
97702-82-4 [RN]
D-Glucitol, 1-[[2-[[3,5-bis(acetylamino)-2,4,6-triiodobenzoyl]methylamino]acetyl]methylamino]-1-deoxy- [ACD/Index Name]
iosarcol [INN]
3,5-diacetamido-2,4,6-triiodo-N-[2-keto-2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]ethyl]-N-methyl-benzamide
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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

Click to predict properties on the Chemicalize site






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