ChemSpider 2D Image | (2S,4S)-Fmoc-4-phenoxy-pyrrolidine-2-carboxylic acid | C26H23NO5

(2S,4S)-Fmoc-4-phenoxy-pyrrolidine-2-carboxylic acid

  • Molecular FormulaC26H23NO5
  • Average mass429.465 Da
  • Monoisotopic mass429.157623 Da
  • ChemSpider ID24021196

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-Fmoc-4-phenoxy-pyrrolidine-2-carboxylic acid
(4S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-phenoxy-L-prolin [German] [ACD/IUPAC Name]
(4S)-1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-phenoxy-L-proline [ACD/IUPAC Name]
(4S)-1-[(9H-Fluorén-9-ylméthoxy)carbonyl]-4-phénoxy-L-proline [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 4-phenoxy-, 1-(9H-fluoren-9-ylmethyl) ester, (2S,4S)- [ACD/Index Name]
1260617-48-8 [RN]
MFCD11226822 [MDL number]
(2S,4S)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid
(2S,4S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-phenoxypyrrolidine-2-carboxylic acid
(2S,4S)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-phenoxypyrrolidine-2-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 638.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 99.1±3.0 kJ/mol
    Flash Point: 339.8±31.5 °C
    Index of Refraction: 1.644
    Molar Refractivity: 117.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 2.95
    ACD/BCF (pH 5.5): 35.98
    ACD/KOC (pH 5.5): 130.55
    ACD/LogD (pH 7.4): 1.38
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.48
    Polar Surface Area: 76 Å2
    Polarizability: 46.5±0.5 10-24cm3
    Surface Tension: 59.3±3.0 dyne/cm
    Molar Volume: 323.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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