ChemSpider 2D Image | 3-(1,1-Dimethylethyl) (4S)-2-phenyl-3,4-thiazolidinedicarboxylate | C15H19NO4S

3-(1,1-Dimethylethyl) (4S)-2-phenyl-3,4-thiazolidinedicarboxylate

  • Molecular FormulaC15H19NO4S
  • Average mass309.381 Da
  • Monoisotopic mass309.103485 Da
  • ChemSpider ID29312278

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(4S)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-phenyl-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
(4S)-3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-phenyl-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
1187928-46-6 [RN]
3-(1,1-Dimethylethyl) (4S)-2-phenyl-3,4-thiazolidinedicarboxylate
3,4-Thiazolidinedicarboxylic acid, 2-phenyl-, 3-(1,1-dimethylethyl) ester, (4S)- [ACD/Index Name]
Acide (4S)-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-phényl-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]
(4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenyl-1,3-thiazolidine-4-carboxylic acid
637032-03-2 [RN]
Boc-(4S,2RS)-2-phenylthiazolidine-4-carboxylic acid
BOC-(4S,2RS)-2-PHENYLTHIAZOLIDINE-4-CARBOXYLICACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 482.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.7±3.0 kJ/mol
    Flash Point: 245.5±28.7 °C
    Index of Refraction: 1.581
    Molar Refractivity: 80.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.00
    ACD/LogD (pH 5.5): 0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.27
    ACD/LogD (pH 7.4): -0.59
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 32.1±0.5 10-24cm3
    Surface Tension: 52.4±3.0 dyne/cm
    Molar Volume: 242.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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