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Search term: OJDOJGWVKJJLMB-HNNXBMFYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-3-(4-Biphenylyl)-2-[(sulfanylacetyl)amino]propanoic acid | C17H17NO3S

(2S)-3-(4-Biphenylyl)-2-[(sulfanylacetyl)amino]propanoic acid

  • Molecular FormulaC17H17NO3S
  • Average mass315.387 Da
  • Monoisotopic mass315.092926 Da
  • ChemSpider ID23322655

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(4-Biphenylyl)-2-[(sulfanylacetyl)amino]propanoic acid [ACD/IUPAC Name]
(2S)-3-(4-Biphenylyl)-2-[(sulfanylacetyl)amino]propansäure [German] [ACD/IUPAC Name]
(2S)-3-(biphenyl-4-yl)-2-[(sulfanylacetyl)amino]propanoic acid (non-preferred name)
Acide (2S)-3-(4-biphénylyl)-2-[(2-sulfanylacétyl)amino]propanoïque [French] [ACD/IUPAC Name]
(S)-3-biphenyl-4-yl-2-(2-mercapto-acetylamino)-propionic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 586.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.8±30.1 °C
Index of Refraction: 1.610
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.32
ACD/LogD (pH 7.4): -0.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 252.0±3.0 cm3

Click to predict properties on the Chemicalize site


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