ChemSpider 2D Image | N-{[3,5-Bis(methoxycarbonyl)phenyl]sulfonyl}-L-valine | C15H19NO8S

N-{[3,5-Bis(methoxycarbonyl)phenyl]sulfonyl}-L-valine

  • Molecular FormulaC15H19NO8S
  • Average mass373.378 Da
  • Monoisotopic mass373.083130 Da
  • ChemSpider ID53945993

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[[(1S)-1-carboxy-2-methylpropyl]amino]sulfonyl]-, 1,3-dimethyl ester [ACD/Index Name]
N-{[3,5-Bis(methoxycarbonyl)phenyl]sulfonyl}-L-valin [German] [ACD/IUPAC Name]
N-{[3,5-Bis(methoxycarbonyl)phenyl]sulfonyl}-L-valine [ACD/IUPAC Name]
N-{[3,5-Bis(méthoxycarbonyl)phényl]sulfonyl}-L-valine [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 568.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 297.3±32.9 °C
Index of Refraction: 1.534
Molar Refractivity: 86.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 144 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 277.2±3.0 cm3

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