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

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

  • Molecular FormulaC18H22I3N3O8
  • Average mass789.096 Da
  • Monoisotopic mass788.854065 Da
  • ChemSpider ID303557

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-desoxyhexopyranose [German] [ACD/IUPAC Name]
2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxyhexopyranose [ACD/IUPAC Name]
2-({3-Acétamido-5-[acétyl(méthyl)amino]-2,4,6-triiodobenzoyl}amino)-2-désoxyhexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 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-deoxyhexopyranose
31112-62-6 [RN]
3-ACETAMIDO-5-[ACETYL(METHYL)AMINO]-2,4,6-TRIIODO-N-[2,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-3-YL]BENZAMIDE
Metrizamide [INN] [JAN] [USAN] [Wiki]
N-(5-(acetylamino)-2,4,6-triiodo-3-{N-[2,4,5-trihydroxy-6-(hydroxymethyl)(2H-3,4,5,6-tetrahydropyran-3-yl)]carbamoyl}phenyl)-N-methylacetamide

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

NSC379419 [DBID]

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

Density: 2.3±0.1 g/cm3
Boiling Point: 828.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.2±3.0 kJ/mol
Flash Point: 454.8±34.3 °C
Index of Refraction: 1.761
Molar Refractivity: 138.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.65
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.65
Polar Surface Area: 169 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 95.6±5.0 dyne/cm
Molar Volume: 335.8±5.0 cm3

Click to predict properties on the Chemicalize site


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