ChemSpider 2D Image | 2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-D-glucitol | C18H24I3N3O8

2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-D-glucitol

  • Molecular FormulaC18H24I3N3O8
  • Average mass791.112 Da
  • Monoisotopic mass790.869690 Da
  • ChemSpider ID167599

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodbenzoyl}amino)-2-desoxy-D-glucitol [German] [ACD/IUPAC Name]
2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-D-glucitol [ACD/IUPAC Name]
2-({3-Acétamido-5-[acétyl(méthyl)amino]-2,4,6-triiodobenzoyl}amino)-2-désoxy-D-glucitol [French] [ACD/IUPAC Name]
D-Glucitol, 2-[[3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl]amino]-2-deoxy- [ACD/Index Name]
2-({3-(acetylamino)-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-d-glucitol
31112-66-0 [RN]
3-ACETAMIDO-2,4,6-TRIIODO-5-(N-METHYLACETAMIDO)-N-[(2S,3R,4S,5R)-1,3,4,5,6-PENTAHYDROXYHEXAN-2-YL]BENZAMIDE
CID 193133
Compound 18
N-(3-Acetamido-5-N-methylacetamido-2,4,6-triiodobenzoyl)-2-amino-2-deoxy-D-glucitol

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

Density: 2.2±0.1 g/cm3
Boiling Point: 996.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.3±3.0 kJ/mol
Flash Point: 556.5±34.3 °C
Index of Refraction: 1.743
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -1.55
ACD/LogD (pH 5.5): -1.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.59
Polar Surface Area: 180 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 85.1±3.0 dyne/cm
Molar Volume: 352.3±3.0 cm3

Click to predict properties on the Chemicalize site


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