ChemSpider 2D Image | Diethyl [(1S,2S)-1-(benzyloxy)-2-hydroxy-2-(4-methylphenyl)ethyl]phosphonate | C20H27O5P

Diethyl [(1S,2S)-1-(benzyloxy)-2-hydroxy-2-(4-methylphenyl)ethyl]phosphonate

  • Molecular FormulaC20H27O5P
  • Average mass378.399 Da
  • Monoisotopic mass378.159607 Da
  • ChemSpider ID77429753

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1S,2S)-1-(Benzyloxy)-2-hydroxy-2-(4-méthylphényl)éthyl]phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl [(1S,2S)-1-(benzyloxy)-2-hydroxy-2-(4-methylphenyl)ethyl]phosphonate [ACD/IUPAC Name]
Diethyl-[(1S,2S)-1-(benzyloxy)-2-hydroxy-2-(4-methylphenyl)ethyl]phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(1S,2S)-2-hydroxy-2-(4-methylphenyl)-1-(phenylmethoxy)ethyl]-, diethyl ester [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: 520.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 268.3±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 206.53
ACD/KOC (pH 5.5): 1580.03
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 206.52
ACD/KOC (pH 7.4): 1580.03
Polar Surface Area: 75 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 323.6±3.0 cm3

Click to predict properties on the Chemicalize site


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