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Search term: UUHKAZAEDAOOHJ-MYIOLCAUSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(2-Sulfanylpropanoyl)tryptophan | C14H16N2O3S

N-(2-Sulfanylpropanoyl)tryptophan

  • Molecular FormulaC14H16N2O3S
  • Average mass292.353 Da
  • Monoisotopic mass292.088165 Da
  • ChemSpider ID18515532

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

N-(2-Sulfanylpropanoyl)tryptophan [ACD/IUPAC Name]
N-(2-Sulfanylpropanoyl)tryptophan [German] [ACD/IUPAC Name]
N-(2-Sulfanylpropanoyl)tryptophane [French] [ACD/IUPAC Name]
Tryptophan, N-(2-mercapto-1-oxopropyl)- [ACD/Index Name]
3-(1H-Indol-3-yl)-2-(2-mercapto-propionylamino)-propionic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 612.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 324.2±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 79.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 62.6±3.0 dyne/cm
Molar Volume: 216.1±3.0 cm3

Click to predict properties on the Chemicalize site


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