ChemSpider 2D Image | (2R)-2-[2,4,6-Triiodo-3-(2-oxo-1-pyrrolidinyl)benzyl]butanoic acid | C15H16I3NO3

(2R)-2-[2,4,6-Triiodo-3-(2-oxo-1-pyrrolidinyl)benzyl]butanoic acid

  • Molecular FormulaC15H16I3NO3
  • Average mass639.006 Da
  • Monoisotopic mass638.826416 Da
  • ChemSpider ID34989240

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[2,4,6-Triiod-3-(2-oxo-1-pyrrolidinyl)benzyl]butansäure [German] [ACD/IUPAC Name]
(2R)-2-[2,4,6-Triiodo-3-(2-oxo-1-pyrrolidinyl)benzyl]butanoic acid [ACD/IUPAC Name]
Acide (2R)-2-[2,4,6-triiodo-3-(2-oxo-1-pyrrolidinyl)benzyl]butanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-ethyl-2,4,6-triiodo-3-(2-oxo-1-pyrrolidinyl)-, (αR)- [ACD/Index Name]
21766-53-0 [RN]
iolidonic acid [INN]
UNII-B1H5V6OZSE

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

Density: 2.3±0.1 g/cm3
Boiling Point: 675.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.4±31.5 °C
Index of Refraction: 1.704
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 3.27
ACD/BCF (pH 5.5): 103.18
ACD/KOC (pH 5.5): 495.66
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 7.80
Polar Surface Area: 58 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 65.0±3.0 dyne/cm
Molar Volume: 284.0±3.0 cm3

Click to predict properties on the Chemicalize site


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