ChemSpider 2D Image | Fmoc-β-(2-quinolyl)-Ala-OH | C27H22N2O4

Fmoc-β-(2-quinolyl)-Ala-OH

  • Molecular FormulaC27H22N2O4
  • Average mass438.475 Da
  • Monoisotopic mass438.157959 Da
  • ChemSpider ID29272049

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

214852-56-9 [RN]
2-Quinolinepropanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)- [ACD/Index Name]
3-(2-Chinolinyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanin [German] [ACD/IUPAC Name]
Fmoc-β-(2-quinolyl)-Ala-OH
N-[(9H-Fluorén-9-ylméthoxy)carbonyl]-3-(2-quinoléinyl)-L-alanine [French] [ACD/IUPAC Name]
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(2-quinolinyl)-L-alanine [ACD/IUPAC Name]
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(quinolin-2-yl)propanoic acid
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-2-ylpropanoic acid
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(quinolin-2-yl)propanoic acid
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(quinolin-2-yl)propanoic acid
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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: 685.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 105.6±3.0 kJ/mol
    Flash Point: 368.4±31.5 °C
    Index of Refraction: 1.675
    Molar Refractivity: 124.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.27
    ACD/LogD (pH 5.5): 2.35
    ACD/BCF (pH 5.5): 10.20
    ACD/KOC (pH 5.5): 41.24
    ACD/LogD (pH 7.4): 1.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.27
    Polar Surface Area: 89 Å2
    Polarizability: 49.3±0.5 10-24cm3
    Surface Tension: 63.1±3.0 dyne/cm
    Molar Volume: 330.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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