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ChemSpider 2D Image | Ethyl (1S,5S)-2-(diethoxyphosphoryl)-5-(2-nitrophenyl)-2-cyclopentene-1-carboxylate | C18H24NO7P

Ethyl (1S,5S)-2-(diethoxyphosphoryl)-5-(2-nitrophenyl)-2-cyclopentene-1-carboxylate

  • Molecular FormulaC18H24NO7P
  • Average mass397.359 Da
  • Monoisotopic mass397.129028 Da
  • ChemSpider ID77416936

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5S)-2-(Diéthoxyphosphoryl)-5-(2-nitrophényl)-2-cyclopentène-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
2-Cyclopentene-1-carboxylic acid, 2-(diethoxyphosphinyl)-5-(2-nitrophenyl)-, ethyl ester, (1S,5S)- [ACD/Index Name]
Ethyl (1S,5S)-2-(diethoxyphosphoryl)-5-(2-nitrophenyl)-2-cyclopentene-1-carboxylate [ACD/IUPAC Name]
Ethyl-(1S,5S)-2-(diethoxyphosphoryl)-5-(2-nitrophenyl)-2-cyclopenten-1-carboxylat [German] [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: 481.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.7±28.7 °C
Index of Refraction: 1.536
Molar Refractivity: 98.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 150.27
ACD/KOC (pH 5.5): 1258.41
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.27
ACD/KOC (pH 7.4): 1258.41
Polar Surface Area: 117 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 48.4±5.0 dyne/cm
Molar Volume: 314.5±5.0 cm3

Click to predict properties on the Chemicalize site


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