ChemSpider 2D Image | 2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxyhexose | C18H22I3N3O8

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

  • Molecular FormulaC18H22I3N3O8
  • Average mass789.096 Da
  • Monoisotopic mass788.854065 Da
  • ChemSpider ID4028

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-desoxyhexose [German] [ACD/IUPAC Name]
2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxyhexose [ACD/IUPAC Name]
2-({3-Acétamido-5-[acétyl(méthyl)amino]-2,4,6-triiodobenzoyl}amino)-2-désoxyhexose [French] [ACD/IUPAC Name]
Hexose, 2-[[3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl]amino]-2-deoxy- [ACD/Index Name]
3-ACETAMIDO-5-[ACETYL(METHYL)AMINO]-2,4,6-TRIIODO-N-(3,4,5,6-TETRAHYDROXY-1-OXOHEXAN-2-YL)BENZAMIDE
N-(5-(acetylamino)-2,4,6-triiodo-3-{N-[2-oxo-1-(1,2,3,4-tetrahydroxybutyl)ethyl]carbamoyl}phenyl)-N-methylacetamide

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

Density: 2.2±0.1 g/cm3
Boiling Point: 927.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.3±3.0 kJ/mol
Flash Point: 514.7±34.3 °C
Index of Refraction: 1.734
Molar Refractivity: 141.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -0.82
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.26
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.26
Polar Surface Area: 177 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 82.8±3.0 dyne/cm
Molar Volume: 352.1±3.0 cm3

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