ChemSpider 2D Image | rel-1-(1,1-Dimethylethyl) (3R,4S)-1,3,4-pyrrolidinetricarboxylate | C11H17NO6

rel-1-(1,1-Dimethylethyl) (3R,4S)-1,3,4-pyrrolidinetricarboxylate

  • Molecular FormulaC11H17NO6
  • Average mass259.256 Da
  • Monoisotopic mass259.105591 Da
  • ChemSpider ID28542521

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3,4-pyrrolidindicarbonsäure [German] [ACD/IUPAC Name]
(3R,4S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3,4-pyrrolidinedicarboxylic acid [ACD/IUPAC Name]
1,3,4-Pyrrolidinetricarboxylic acid, 1-(1,1-dimethylethyl) ester, (3R,4S)- [ACD/Index Name]
441298-21-1 [RN]
Acide (3R,4S)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3,4-pyrrolidinedicarboxylique [French] [ACD/IUPAC Name]
rel-1-(1,1-Dimethylethyl) (3R,4S)-1,3,4-pyrrolidinetricarboxylate
cis-1-(tert-Butoxycarbonyl)pyrrolidine-3,4-dicarboxylic acid
cis-N-Boc-pyrrolidine-3,4-dicarboxylic acid
MFCD15071833 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 452.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 78.0±6.0 kJ/mol
    Flash Point: 227.2±28.7 °C
    Index of Refraction: 1.529
    Molar Refractivity: 59.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.29
    ACD/LogD (pH 5.5): -1.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 23.4±0.5 10-24cm3
    Surface Tension: 58.5±3.0 dyne/cm
    Molar Volume: 191.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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