ChemSpider 2D Image | 5-[Acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide | C19H26I3N3O9

5-[Acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

  • Molecular FormulaC19H26I3N3O9
  • Average mass821.138 Da
  • Monoisotopic mass820.880310 Da
  • ChemSpider ID21234393

More details:

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

1,3-Benzenedicarboxamide, 5-[acetyl(2,3-dihydroxypropyl)amino]-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo- [ACD/Index Name]
5-[Acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodisophthalamid [German] [ACD/IUPAC Name]
5-[Acétyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophtalamide [French] [ACD/IUPAC Name]
5-[Acetyl(2,3-dihydroxypropyl)amino]-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide [ACD/IUPAC Name]
266-164-2 [EINECS]
5-[acetyl-[(2R)-2,3-dihydroxypropyl]amino]-N,N'-bis[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodobenzene-1,3-dicarboxamide
5-[acetyl-[(2R)-2,3-dihydroxypropyl]amino]-N,N'-bis[(2R)-2,3-dihydroxypropyl]-2,4,6-triiodo-benzene-1,3-dicarboxamide
66108-95-0 [RN]
CAS-66108-95-0
Iohexol [BAN] [INN] [JAN] [USAN] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NCGC00016911-01 [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: 966.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 147.5±3.0 kJ/mol
Flash Point: 538.2±37.1 °C
Index of Refraction: 1.733
Molar Refractivity: 143.1±0.5 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: -2.83
ACD/LogD (pH 5.5): -4.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 207 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 71.4±7.0 dyne/cm
Molar Volume: 357.3±7.0 cm3

Click to predict properties on the Chemicalize site


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