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ChemSpider 2D Image | chlorotetaine | C12H15ClN2O6

chlorotetaine

  • Molecular FormulaC12H15ClN2O6
  • Average mass318.710 Da
  • Monoisotopic mass318.061859 Da
  • ChemSpider ID62285791

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-Oxidanyliden-D-seryl-3-[(1S)-3-chlor-4-oxo-2-cyclohexen-1-yl]-L-alanin [German] [ACD/IUPAC Name]
3-Oxidanylidene-D-seryl-3-[(1S)-3-chloro-4-oxo-2-cyclohexen-1-yl]-L-alanine [ACD/IUPAC Name]
3-Oxydanylidène-D-séryl-3-[(1S)-3-chloro-4-oxo-2-cyclohexén-1-yl]-L-alanine [French] [ACD/IUPAC Name]
chlorotetaine
L-Alanine, 3-oxido-D-seryl-3-[(1S)-3-chloro-4-oxo-2-cyclohexen-1-yl]- [ACD/Index 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: 661.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±6.0 kJ/mol
Flash Point: 353.6±31.5 °C
Index of Refraction: 1.593
Molar Refractivity: 70.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -4.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 28.1±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 209.0±5.0 cm3

Click to predict properties on the Chemicalize site


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