ChemSpider 2D Image | (2xi)-2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-L-arabino-hexose | C18H22I3N3O8

(2ξ)-2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-L-arabino-hexose

  • Molecular FormulaC18H22I3N3O8
  • Average mass789.096 Da
  • Monoisotopic mass788.854065 Da
  • ChemSpider ID71360689

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2ξ)-2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodbenzoyl}amino)-2-desoxy-L-arabino-hexose [German] [ACD/IUPAC Name]
(2ξ)-2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxy-L-arabino-hexose [ACD/IUPAC Name]
(2ξ)-2-({3-Acétamido-5-[acétyl(méthyl)amino]-2,4,6-triiodobenzoyl}amino)-2-désoxy-L-arabino-hexose [French] [ACD/IUPAC Name]
L-arabino-Hexose, 2-[[3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoyl]amino]-2-deoxy-, (2ξ)- [ACD/Index Name]
31112-62-6 [RN]
Metrizamide [INN] [JAN] [USAN] [Wiki]

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

Click to predict properties on the Chemicalize site


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