ChemSpider 2D Image | N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe | C22H22Cl2I2N2O7

N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe

  • Molecular FormulaC22H22Cl2I2N2O7
  • Average mass751.134 Da
  • Monoisotopic mass749.889343 Da
  • ChemSpider ID9709839

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-{[(2R)-2-(3,5-Dichloro-4-hydroxyphényl)-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétyl]amino}(4-hydroxy-3,5-diiodophényl)acétate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[(2R)-2-(3,5-dichloro-4-hydroxyphenyl)-2-[[(1,1-dimethylethoxy)carbonyl]amino]acetyl]amino]-4-hydroxy-3,5-diiodo-, methyl ester, (αR)- [ACD/Index Name]
Methyl (2R)-{[(2R)-2-(3,5-dichloro-4-hydroxyphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]amino}(4-hydroxy-3,5-diiodophenyl)acetate [ACD/IUPAC Name]
Methyl-(2R)-{[(2R)-2-(3,5-dichlor-4-hydroxyphenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetyl]amino}(4-hydroxy-3,5-diiodphenyl)acetat [German] [ACD/IUPAC Name]
N-Boc-D-4-HO-3,5-Cl2-PhGly-D-4-HO-3,5-I2-PhGly-OMe
(R,R)-N-tert-butoxycarbonyl-3',5'-dichloro-4'-hydroxyphenylglycyl-4'-hydroxy-3',5'-diiodophenylglycine methyl ester
methyl (2R)-{[(2R)-2-[(tert-butoxycarbonyl)amino]-2-(3,5-dichloro-4-hydroxyphenyl)acetyl]amino}(4-hydroxy-3,5-diiodophenyl)acetate
methyl (2R)-2-[[(2R)-2-(3,5-dichloro-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-(4-hydroxy-3,5-diiodophenyl)acetate

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

Density: 1.9±0.1 g/cm3
Boiling Point: 694.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 373.7±31.5 °C
Index of Refraction: 1.652
Molar Refractivity: 147.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.82
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7291.04
ACD/KOC (pH 5.5): 19322.92
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 141.32
ACD/KOC (pH 7.4): 374.54
Polar Surface Area: 134 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 403.2±3.0 cm3

Click to predict properties on the Chemicalize site


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