ChemSpider 2D Image | N-Acetyl-3,5-diiodo-O-(4-nitrobenzyl)-L-tyrosine | C18H16I2N2O6

N-Acetyl-3,5-diiodo-O-(4-nitrobenzyl)-L-tyrosine

  • Molecular FormulaC18H16I2N2O6
  • Average mass610.138 Da
  • Monoisotopic mass609.909729 Da
  • ChemSpider ID166477

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Tyrosine, N-acetyl-3,5-diiodo-O-[(4-nitrophenyl)methyl]- [ACD/Index Name]
N-Acetyl-3,5-diiod-O-(4-nitrobenzyl)-L-tyrosin [German] [ACD/IUPAC Name]
N-Acetyl-3,5-diiodo-O-(4-nitrobenzyl)-L-tyrosine [ACD/IUPAC Name]
N-Acétyl-3,5-diiodo-O-(4-nitrobenzyl)-L-tyrosine [French] [ACD/IUPAC Name]
(2S)-3-{3,5-DIIODO-4-[(4-NITROPHENYL)METHOXY]PHENYL}-2-ACETAMIDOPROPANOIC ACID
64700-62-5 [RN]
L-Tyrosine, N-acetyl-3,5-diiodo-O-((4-nitrophenyl)methyl)-
para-Nitrobenzyloxy-N-acetyldiiodotyrosin

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

Density: 1.9±0.1 g/cm3
Boiling Point: 765.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 416.9±32.9 °C
Index of Refraction: 1.680
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 1.49
ACD/BCF (pH 5.5): 1.89
ACD/KOC (pH 5.5): 9.94
ACD/LogD (pH 7.4): 0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 313.4±3.0 cm3

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