ChemSpider 2D Image | (2S,4S)-1-(benzyloxycarbonyl)pyrrolidine-2,4-dicarboxylic acid | C14H15NO6

(2S,4S)-1-(benzyloxycarbonyl)pyrrolidine-2,4-dicarboxylic acid

  • Molecular FormulaC14H15NO6
  • Average mass293.272 Da
  • Monoisotopic mass293.089935 Da
  • ChemSpider ID19352661

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-1-(benzyloxycarbonyl)pyrrolidine-2,4-dicarboxylic acid
(2S,4S)-1-[(Benzyloxy)carbonyl]-2,4-pyrrolidindicarbonsäure [German] [ACD/IUPAC Name]
(2S,4S)-1-[(Benzyloxy)carbonyl]-2,4-pyrrolidinedicarboxylic acid [ACD/IUPAC Name]
1,2,4-Pyrrolidinetricarboxylic acid, 1-(phenylmethyl) ester, (2S,4S)- [ACD/Index Name]
130830-73-8 [RN]
Acide (2S,4S)-1-[(benzyloxy)carbonyl]-2,4-pyrrolidinedicarboxylique [French] [ACD/IUPAC Name]
(2s,4s)-1-((benzyloxy)carbonyl)pyrrolidine-2,4-dicarboxylic acid
CS-14317
MFCD18642814

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 504.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.6±3.0 kJ/mol
    Flash Point: 259.2±30.1 °C
    Index of Refraction: 1.604
    Molar Refractivity: 69.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.63
    ACD/LogD (pH 5.5): -1.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 104 Å2
    Polarizability: 27.6±0.5 10-24cm3
    Surface Tension: 70.4±3.0 dyne/cm
    Molar Volume: 202.6±3.0 cm3

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