ChemSpider 2D Image | (2R)-3-[Acetyl(3-amino-2,4,6-triiodophenyl)amino]-2-methylpropanoic acid | C12H13I3N2O3

(2R)-3-[Acetyl(3-amino-2,4,6-triiodophenyl)amino]-2-methylpropanoic acid

  • Molecular FormulaC12H13I3N2O3
  • Average mass613.957 Da
  • Monoisotopic mass613.805969 Da
  • ChemSpider ID5036637

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-[Acetyl(3-amino-2,4,6-triiodophenyl)amino]-2-methylpropanoic acid [ACD/IUPAC Name]
(2R)-3-[Acetyl(3-amino-2,4,6-triiodphenyl)amino]-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide (2R)-3-[acétyl(3-amino-2,4,6-triiodophényl)amino]-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[acetyl(3-amino-2,4,6-triiodophenyl)amino]-2-methyl-, (2R)- [ACD/Index Name]
16034-77-8 [RN]
240-173-1 [EINECS]
Iocetamic acid
UNII-FA675Q0E3E

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

NCGC00016720-01 [DBID]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 351.9±31.5 °C
Index of Refraction: 1.751
Molar Refractivity: 103.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 8.18
ACD/KOC (pH 5.5): 68.45
ACD/LogD (pH 7.4): 0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.13
Polar Surface Area: 84 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 74.1±3.0 dyne/cm
Molar Volume: 254.1±3.0 cm3

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