ChemSpider 2D Image | (3S,4S)-4-{(2E)-3-[(3aR,7aR)-1,3-Dimethyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl]-2-propen-1-yl}-3-methyldihydro-2(3H)-furanone | C16H27N2O3P

(3S,4S)-4-{(2E)-3-[(3aR,7aR)-1,3-Dimethyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl]-2-propen-1-yl}-3-methyldihydro-2(3H)-furanone

  • Molecular FormulaC16H27N2O3P
  • Average mass326.371 Da
  • Monoisotopic mass326.175934 Da
  • ChemSpider ID77406440

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4S)-4-{(2E)-3-[(3aR,7aR)-1,3-Dimethyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl]-2-propen-1-yl}-3-methyldihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,4S)-4-{(2E)-3-[(3aR,7aR)-1,3-Dimethyl-2-oxidooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl]-2-propen-1-yl}-3-methyldihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,4S)-4-{(2E)-3-[(3aR,7aR)-1,3-Diméthyl-2-oxydooctahydro-1H-1,3,2-benzodiazaphosphol-2-yl]-2-propén-1-yl}-3-méthyldihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-3-methyl-4-[(2E)-3-[(3aR,7aR)-octahydro-1,3-dimethyl-2-oxido-1H-1,3,2-benzodiazaphosphol-2-yl]-2-propen-1-yl]-, (3S,4S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 470.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 238.6±26.5 °C
Index of Refraction: 1.543
Molar Refractivity: 86.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 60 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 273.5±5.0 cm3

Click to predict properties on the Chemicalize site


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