ChemSpider 2D Image | Dimethyl [(1S,2R,5S,7S)-3-(trichloroacetyl)-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-en-2-yl]phosphonate | C12H15Cl3NO5P

Dimethyl [(1S,2R,5S,7S)-3-(trichloroacetyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2-yl]phosphonate

  • Molecular FormulaC12H15Cl3NO5P
  • Average mass390.584 Da
  • Monoisotopic mass388.975342 Da
  • ChemSpider ID30658757

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1S,2R,5S,7S)-3-(2,2,2-Trichloroacétyl)-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-én-2-yl]phosphonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl [(1S,2R,5S,7S)-3-(trichloroacetyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2-yl]phosphonate [ACD/IUPAC Name]
Dimethyl-[(1S,2R,5S,7S)-3-(trichloracetyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-2-yl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(3R,3aS,6S,7aS)-1,2,3,6,7,7a-hexahydro-2-(2,2,2-trichloroacetyl)-3a,6-epoxy-3aH-isoindol-3-yl]-, dimethyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 478.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.4±28.7 °C
Index of Refraction: 1.572
Molar Refractivity: 81.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.20
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 5.51
ACD/KOC (pH 5.5): 118.13
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.51
ACD/KOC (pH 7.4): 118.13
Polar Surface Area: 75 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 248.7±5.0 cm3

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