ChemSpider 2D Image | (2S)-3-(4-Biphenylyl)-2-{[(2S)-3-methyl-2-sulfanylbutanoyl]amino}propanoic acid | C20H23NO3S

(2S)-3-(4-Biphenylyl)-2-{[(2S)-3-methyl-2-sulfanylbutanoyl]amino}propanoic acid

  • Molecular FormulaC20H23NO3S
  • Average mass357.466 Da
  • Monoisotopic mass357.139862 Da
  • ChemSpider ID23322586

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-3-(4-Biphenylyl)-2-{[(2S)-3-methyl-2-sulfanylbutanoyl]amino}propanoic acid [ACD/IUPAC Name]
(2S)-3-(4-Biphenylyl)-2-{[(2S)-3-methyl-2-sulfanylbutanoyl]amino}propansäure [German] [ACD/IUPAC Name]
(2S)-3-(biphenyl-4-yl)-2-{[(2S)-3-methyl-2-sulfanylbutanoyl]amino}propanoic acid (non-preferred name)
Acide (2S)-3-(4-biphénylyl)-2-{[(2S)-3-méthyl-2-sulfanylbutanoyl]amino}propanoïque [French] [ACD/IUPAC Name]
(S)-3-biphenyl-4-yl-2-((S)-2-mercapto-3-methyl-butyrylamino)-propionic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 591.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 311.7±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 101.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 1.36
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 10.95
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 302.3±3.0 cm3

Click to predict properties on the Chemicalize site


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