ChemSpider 2D Image | N-Acetyl-3,5-diiodo-L-tyrosylglycine | C13H14I2N2O5

N-Acetyl-3,5-diiodo-L-tyrosylglycine

  • Molecular FormulaC13H14I2N2O5
  • Average mass532.070 Da
  • Monoisotopic mass531.899170 Da
  • ChemSpider ID394720

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Glycine, N-acetyl-3,5-diiodo-L-tyrosyl- [ACD/Index Name]
N-Acetyl-3,5-diiod-L-tyrosylglycin [German] [ACD/IUPAC Name]
N-Acetyl-3,5-diiodo-L-tyrosylglycine [ACD/IUPAC Name]
N-Acétyl-3,5-diiodo-L-tyrosylglycine [French] [ACD/IUPAC Name]
N-α-ACETYL-3,5-DIIODOTYROSYLGLYCINE
[(2S)-2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanamido]acetic acid
2-[(2S)-2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanamido]acetic acid
IH4
IYG
N-(R-CARBOXY-ETHYL)-α-(S)-(2-PHENYLETHYL)

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

Density: 2.1±0.1 g/cm3
Boiling Point: 696.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 374.9±31.5 °C
Index of Refraction: 1.674
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 254.2±3.0 cm3

Click to predict properties on the Chemicalize site


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