ChemSpider 2D Image | 2,5-Diiodo-L-histidyl-N-{[(2S)-5-oxo-2-pyrrolidinyl]carbonyl}-L-prolinamide | C16H20I2N6O4

2,5-Diiodo-L-histidyl-N-{[(2S)-5-oxo-2-pyrrolidinyl]carbonyl}-L-prolinamide

  • Molecular FormulaC16H20I2N6O4
  • Average mass614.177 Da
  • Monoisotopic mass613.963501 Da
  • ChemSpider ID4955591

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,5-Diiod-L-histidyl-N-{[(2S)-5-oxo-2-pyrrolidinyl]carbonyl}-L-prolinamid [German] [ACD/IUPAC Name]
2,5-Diiodo-L-histidyl-N-{[(2S)-5-oxo-2-pyrrolidinyl]carbonyl}-L-prolinamide [ACD/IUPAC Name]
2,5-Diiodo-L-histidyl-N-{[(2S)-5-oxo-2-pyrrolidinyl]carbonyl}-L-prolinamide [French] [ACD/IUPAC Name]
L-Prolinamide, 2,5-diiodo-L-histidyl-N-[[(2S)-5-oxo-2-pyrrolidinyl]carbonyl]- [ACD/Index Name]
(2S)-N-[(2S)-1-[(2S)-2-AMINO-3-(2,5-DIIODO-3H-IMIDAZOL-4-YL)PROPANOYL]PYRROLIDINE-2-CARBONYL]-5-OXOPYRROLIDINE-2-CARBOXAMIDE
2,4(5)-I2-Im-Trh
55536-96-4 [RN]
5-Oxoprolyl-2,4(5)-diiodohistidyl-prolinamide

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

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.694
Molar Refractivity: 114.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: -2.91
ACD/LogD (pH 5.5): -2.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.59
Polar Surface Area: 150 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 81.2±3.0 dyne/cm
Molar Volume: 299.0±3.0 cm3

Click to predict properties on the Chemicalize site


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