ChemSpider 2D Image | Ioglucol | C18H24I3N3O9

Ioglucol

  • Molecular FormulaC18H24I3N3O9
  • Average mass807.111 Da
  • Monoisotopic mass806.864624 Da
  • ChemSpider ID16736644

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

3'-(N-(2-Hydroxyethyl)acetamido)-2',4',6'-triiodo-5'-(methylcarbamoyl)-D-gluconanilide
3-[Acetyl(2-hydroxyethyl)amino]-2,4,6-triiod-N-methyl-5-{[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino}benzamid [German] [ACD/IUPAC Name]
3-[Acetyl(2-hydroxyethyl)amino]-2,4,6-triiodo-N-methyl-5-{[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino}benzamide [ACD/IUPAC Name]
3-[Acétyl(2-hydroxyéthyl)amino]-2,4,6-triiodo-N-méthyl-5-{[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino}benzamide [French] [ACD/IUPAC Name]
63941-73-1 [RN]
Ioglucol
ZZU2X307FG
3-(acetyl-(2-hydroxyethyl)amino)-2,4,6-triiodo-N-methyl-5-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexyl]amino]benzamide
3-(acetyl-(2-hydroxyethyl)amino)-2,4,6-triiodo-N-methyl-5-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
3-(ethanoyl-(2-hydroxyethyl)amino)-2,4,6-triiodo-N-methyl-5-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4653 [DBID]
MP 6026 [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: 1048.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 160.7±3.0 kJ/mol
Flash Point: 587.8±34.3 °C
Index of Refraction: 1.761
Molar Refractivity: 144.1±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.18
ACD/LogD (pH 5.5): -2.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.31
ACD/LogD (pH 7.4): -2.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.31
Polar Surface Area: 200 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 93.2±3.0 dyne/cm
Molar Volume: 349.8±3.0 cm3

Click to predict properties on the Chemicalize site


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