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Search term: ZRYCUODJUIAJCI-ZDUSSCGKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-{3-[(4-Chlorophenyl)sulfanyl]propanoyl}-L-valine | C14H18ClNO3S

N-{3-[(4-Chlorophenyl)sulfanyl]propanoyl}-L-valine

  • Molecular FormulaC14H18ClNO3S
  • Average mass315.816 Da
  • Monoisotopic mass315.069580 Da
  • ChemSpider ID57644392

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valine, N-[3-[(4-chlorophenyl)thio]-1-oxopropyl]- [ACD/Index Name]
N-{3-[(4-Chlorophenyl)sulfanyl]propanoyl}-L-valine [ACD/IUPAC Name]
N-{3-[(4-Chlorophényl)sulfanyl]propanoyl}-L-valine [French] [ACD/IUPAC Name]
N-{3-[(4-Chlorphenyl)sulfanyl]propanoyl}-L-valin [German] [ACD/IUPAC Name]
(2S)-2-{3-[(4-chlorophenyl)sulfanyl]propanamido}-3-methylbutanoicacid
1309024-21-2 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 539.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 279.9±28.7 °C
Index of Refraction: 1.579
Molar Refractivity: 82.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.59
ACD/LogD (pH 7.4): -0.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 246.9±5.0 cm3

Click to predict properties on the Chemicalize site


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