ChemSpider 2D Image | N-{[3-(Methoxycarbonyl)-1,2-thiazol-4-yl]sulfonyl}-L-valine | C10H14N2O6S2

N-{[3-(Methoxycarbonyl)-1,2-thiazol-4-yl]sulfonyl}-L-valine

  • Molecular FormulaC10H14N2O6S2
  • Average mass322.358 Da
  • Monoisotopic mass322.029327 Da
  • ChemSpider ID54272283

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valine, N-[[3-(methoxycarbonyl)-4-isothiazolyl]sulfonyl]- [ACD/Index Name]
N-{[3-(Methoxycarbonyl)-1,2-thiazol-4-yl]sulfonyl}-L-valin [German] [ACD/IUPAC Name]
N-{[3-(Methoxycarbonyl)-1,2-thiazol-4-yl]sulfonyl}-L-valine [ACD/IUPAC Name]
N-{[3-(Méthoxycarbonyl)-1,2-thiazol-4-yl]sulfonyl}-L-valine [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 467.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.8±3.0 kJ/mol
Flash Point: 236.3±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 71.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 159 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 222.0±3.0 cm3

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