ChemSpider 2D Image | N-(3-(Acetylmethylamino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodophenyl)-D-gluconamide | C18H24I3N3O9

N-(3-(Acetylmethylamino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodophenyl)-D-gluconamide

  • Molecular FormulaC18H24I3N3O9
  • Average mass807.111 Da
  • Monoisotopic mass806.864624 Da
  • ChemSpider ID16741223

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N-(2-Hydroxyethyl)-2,4,6-triiod-3-[(2-oxopropyl)amino]-5-{[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino}benzamid [German] [ACD/IUPAC Name]
N-(2-Hydroxyethyl)-2,4,6-triiodo-3-[(2-oxopropyl)amino]-5-{[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino}benzamide [ACD/IUPAC Name]
N-(2-Hydroxyéthyl)-2,4,6-triiodo-3-[(2-oxopropyl)amino]-5-{[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino}benzamide [French] [ACD/IUPAC Name]
N-(3-(Acetylmethylamino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodophenyl)-D-gluconamide

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

Density: 2.3±0.1 g/cm3
Boiling Point: 1000.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.9±3.0 kJ/mol
Flash Point: 558.8±34.3 °C
Index of Refraction: 1.766
Molar Refractivity: 144.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.33
ACD/LogD (pH 5.5): -2.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.23
ACD/LogD (pH 7.4): -2.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.23
Polar Surface Area: 209 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 94.2±3.0 dyne/cm
Molar Volume: 347.7±3.0 cm3

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