ChemSpider 2D Image | (4S)-3-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(2-methyl-2-propanyl)-L-threonyl}-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid | C29H36N2O7

(4S)-3-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(2-methyl-2-propanyl)-L-threonyl}-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid

  • Molecular FormulaC29H36N2O7
  • Average mass524.605 Da
  • Monoisotopic mass524.252258 Da
  • ChemSpider ID59760132
  • defined stereocentres - 3 of 3 defined stereocentres


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

(4S)-3-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(2-methyl-2-propanyl)-L-threonyl}-2,2-dimethyl-1,3-oxazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-3-{N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(2-methyl-2-propanyl)-L-threonyl}-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Oxazolidinecarboxylic acid, 3-[(2S,3R)-3-(1,1-dimethylethoxy)-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-oxobutyl]-2,2-dimethyl-, (4S)- [ACD/Index Name]
Acide (4S)-3-{N-[(9H-fluorén-9-ylméthoxy)carbonyl]-O-(2-méthyl-2-propanyl)-L-thréonyl}-2,2-diméthyl-1,3-oxazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(4S)-3-[(2S,3R)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoyl]-2,2-dimethyl-1,3-oxazolidine-4-carboxylic acid
(S)-3-(N-(((9H-fluoren-9-yl)methoxy)carbonyl)-O-(tert-butyl)-L-threonyl)-2,2-dimethyloxazolidine-4-carboxylic acid
(S)-3-(N-Fmoc-O-(tert-butyl)-L-threonyl)-2,2-dimethyloxazolidine-4-carboxylic acid
1425938-63-1 [RN]
4-Oxazolidinecarboxylic acid, 3-[(2S,3R)-3-(1,1-dimethylethoxy)-2-[[(9H-fluor...
98%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 718.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 110.2±3.0 kJ/mol
    Flash Point: 388.1±32.9 °C
    Index of Refraction: 1.565
    Molar Refractivity: 139.5±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 6.01
    ACD/LogD (pH 5.5): 2.78
    ACD/BCF (pH 5.5): 20.37
    ACD/KOC (pH 5.5): 63.28
    ACD/LogD (pH 7.4): 1.52
    ACD/BCF (pH 7.4): 1.12
    ACD/KOC (pH 7.4): 3.48
    Polar Surface Area: 114 Å2
    Polarizability: 55.3±0.5 10-24cm3
    Surface Tension: 48.1±3.0 dyne/cm
    Molar Volume: 428.6±3.0 cm3

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