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ChemSpider 2D Image | Diethyl {(1S)-1-[({(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-oxo-2-propanyl}oxy)(2-methyl-2-propanyl)amino]-2,2-dimethylpropyl}phosphonate | C26H43N2O7P

Diethyl {(1S)-1-[({(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-oxo-2-propanyl}oxy)(2-methyl-2-propanyl)amino]-2,2-dimethylpropyl}phosphonate

  • Molecular FormulaC26H43N2O7P
  • Average mass526.603 Da
  • Monoisotopic mass526.280762 Da
  • ChemSpider ID21183721

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Date of deprecation: 16:04, May 21, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

{(1S)-1-[({(2R)-1-[(4R)-4-Benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-oxo-2-propanyl}oxy)(2-méthyl-2-propanyl)amino]-2,2-diméthylpropyl}phosphonate de diéthyle [French] [ACD/IUPAC Name]
Diethyl {(1S)-1-[({(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-oxo-2-propanyl}oxy)(2-methyl-2-propanyl)amino]-2,2-dimethylpropyl}phosphonate [ACD/IUPAC Name]
Diethyl-{(1S)-1-[({(2R)-1-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-oxo-2-propanyl}oxy)(2-methyl-2-propanyl)amino]-2,2-dimethylpropyl}phosphonat [German] [ACD/IUPAC Name]
Phosphonic acid, P-[(1S)-1-[(1,1-dimethylethyl)[(1R)-1-methyl-2-oxo-2-[(4R)-2-oxo-4-(phenylmethyl)-3-oxazolidinyl]ethoxy]amino]-2,2-dimethylpropyl]-, 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: 606.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.3±34.3 °C
Index of Refraction: 1.513
Molar Refractivity: 138.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 1
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 867.56
ACD/KOC (pH 5.5): 4414.03
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 867.56
ACD/KOC (pH 7.4): 4414.04
Polar Surface Area: 104 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 459.3±3.0 cm3

Click to predict properties on the Chemicalize site


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