ChemSpider 2D Image | L-Phenylalanyl-3,5-diiodo-L-tyrosine | C18H18I2N2O4

L-Phenylalanyl-3,5-diiodo-L-tyrosine

  • Molecular FormulaC18H18I2N2O4
  • Average mass580.156 Da
  • Monoisotopic mass579.935547 Da
  • ChemSpider ID113793

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

80434-83-9 [RN]
L-Phenylalanyl-3,5-diiod-L-tyrosin [German] [ACD/IUPAC Name]
L-Phenylalanyl-3,5-diiodo-L-tyrosine [ACD/IUPAC Name]
L-Phénylalanyl-3,5-diiodo-L-tyrosine [French] [ACD/IUPAC Name]
L-Tyrosine, 3,5-diiodo-N-L-phenylalanyl-
L-Tyrosine, L-phenylalanyl-3,5-diiodo- [ACD/Index Name]
(2S)-2-[(2S)-2-AMINO-3-PHENYLPROPANAMIDO]-3-(4-HYDROXY-3,5-DIIODOPHENYL)PROPANOIC ACID
(S)-2-((S)-2-Amino-3-phenylpropanamido)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
3,5-Diiodo-N-phe-tyr
84803-67-8 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.0±0.1 g/cm3
Boiling Point: 651.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 347.8±31.5 °C
Index of Refraction: 1.704
Molar Refractivity: 115.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.23
ACD/LogD (pH 7.4): -0.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 70.7±3.0 dyne/cm
Molar Volume: 296.5±3.0 cm3

Click to predict properties on the Chemicalize site


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