ChemSpider 2D Image | 3-[[(2R)-2-Amino-2-carboxyethyl]thio]-5-hydroxy-L-tyrosine | C12H16N2O6S

3-[[(2R)-2-Amino-2-carboxyethyl]thio]-5-hydroxy-L-tyrosine

  • Molecular FormulaC12H16N2O6S
  • Average mass316.330 Da
  • Monoisotopic mass316.072906 Da
  • ChemSpider ID30791559

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

19641-92-0 [RN]
3-[[(2R)-2-Amino-2-carboxyethyl]thio]-5-hydroxy-L-tyrosine
3-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosin [German] [ACD/IUPAC Name]
3-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-5-hydroxy-L-tyrosine [ACD/IUPAC Name]
3-{[(2R)-2-Amino-2-carboxyéthyl]sulfanyl}-5-hydroxy-L-tyrosine [French] [ACD/IUPAC Name]
L-Tyrosine, 3-[[(2R)-2-amino-2-carboxyethyl]thio]-5-hydroxy- [ACD/Index Name]
5-S-cysteinyldopa
5-S-Cysteinyl-DOPA
Cysteinyldopa [Wiki]
L-Tyrosine,3-[[(2R)-2-amino-2-carboxyethyl]thio]-5-hydroxy-

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

Density: 1.6±0.1 g/cm3
Boiling Point: 599.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.6±30.1 °C
Index of Refraction: 1.714
Molar Refractivity: 76.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -3.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 107.9±5.0 dyne/cm
Molar Volume: 193.9±5.0 cm3

Click to predict properties on the Chemicalize site


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