ChemSpider 2D Image | (4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid | C22H25NO6

(4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid

  • Molecular FormulaC22H25NO6
  • Average mass399.437 Da
  • Monoisotopic mass399.168182 Da
  • ChemSpider ID25939689

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidin-5-carbonsäure [German] [ACD/IUPAC Name]
(4S,5R)-2-(4-Methoxyphenyl)-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-4-phenyl-1,3-oxazolidine-5-carboxylic acid [ACD/IUPAC Name]
3,5-Oxazolidinedicarboxylic acid, 2-(4-methoxyphenyl)-4-phenyl-, 3-(1,1-dimethylethyl) ester, (4S,5R)- [ACD/Index Name]
Acide (4S,5R)-2-(4-méthoxyphényl)-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-4-phényl-1,3-oxazolidine-5-carboxylique [French] [ACD/IUPAC Name]
(4S,5R)-3-(tert-butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid
(4S,5R)-3-tert-Butoxycarbony-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic acid
155396-69-3 [RN]
196404-55-4 [RN]
MFCD09837613 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 300.8±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 9.83
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 322.6±3.0 cm3

Click to predict properties on the Chemicalize site


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