ChemSpider 2D Image | Methyl N-[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]-3,5-diiodo-L-tyrosinate | C20H18Cl2I2N4O4

Methyl N-[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]-3,5-diiodo-L-tyrosinate

  • Molecular FormulaC20H18Cl2I2N4O4
  • Average mass703.096 Da
  • Monoisotopic mass701.879456 Da
  • ChemSpider ID168904

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Tyrosine, N-[3,5-dichloro-4-[(4,5-dihydro-1H-imidazol-2-yl)amino]benzoyl]-3,5-diiodo-, methyl ester [ACD/Index Name]
Methyl N-[3,5-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]-3,5-diiodo-L-tyrosinate [ACD/IUPAC Name]
Methyl-N-[3,5-dichlor-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]-3,5-diiod-L-tyrosinat [German] [ACD/IUPAC Name]
N-[3,5-Dichloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)benzoyl]-3,5-diiodo-L-tyrosinate de méthyle [French] [ACD/IUPAC Name]
3,5-Dichloro-St 1984-tme
4-Carboxyclonidine-3,5-dichlorotyrosine methyl ester
4-Carboxyclonidine-methyl 3,5-dichlorotyrosine
75472-83-2 [RN]
L-Tyrosine, N-(3,5-dichloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)benzoyl)-3,5-diiodo-, methyl ester

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: 1.746
Molar Refractivity: 137.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.08
ACD/LogD (pH 5.5): 2.80
ACD/BCF (pH 5.5): 31.40
ACD/KOC (pH 5.5): 137.03
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 187.52
ACD/KOC (pH 7.4): 818.42
Polar Surface Area: 112 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 62.6±7.0 dyne/cm
Molar Volume: 338.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement