ChemSpider 2D Image | Diethyl [(1S)-1-{[(2S,4S)-4-hydroxy-2-pentanyl]oxy}-2-phenylethyl]phosphonate | C17H29O5P

Diethyl [(1S)-1-{[(2S,4S)-4-hydroxy-2-pentanyl]oxy}-2-phenylethyl]phosphonate

  • Molecular FormulaC17H29O5P
  • Average mass344.383 Da
  • Monoisotopic mass344.175262 Da
  • ChemSpider ID74049993

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1S)-1-{[(2S,4S)-4-Hydroxy-2-pentanyl]oxy}-2-phényléthyl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [(1S)-1-{[(2S,4S)-4-hydroxy-2-pentanyl]oxy}-2-phenylethyl]phosphonate [ACD/IUPAC Name]
Diethyl-[(1S)-1-{[(2S,4S)-4-hydroxy-2-pentanyl]oxy}-2-phenylethyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(1S)-1-[(1S,3S)-3-hydroxy-1-methylbutoxy]-2-phenylethyl]-, diethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 471.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 238.8±27.3 °C
Index of Refraction: 1.494
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.72
ACD/KOC (pH 5.5): 494.23
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.72
ACD/KOC (pH 7.4): 494.23
Polar Surface Area: 75 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 312.7±3.0 cm3

Click to predict properties on the Chemicalize site


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