ChemSpider 2D Image | (S)-N-Fmoc-2-(4'-pentenyl)glycine | C22H23NO4

(S)-N-Fmoc-2-(4'-pentenyl)glycine

  • Molecular FormulaC22H23NO4
  • Average mass365.422 Da
  • Monoisotopic mass365.162720 Da
  • ChemSpider ID26519359

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-6-heptenoic acid [ACD/IUPAC Name]
(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-6-heptensäure [German] [ACD/IUPAC Name]
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)hept-6-enoic acid
(S)-N-Fmoc-2-(4'-pentenyl)glycine
6-Heptenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)- [ACD/Index Name]
856412-22-1 [RN]
Acide (2S)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-6-hepténoïque [French] [ACD/IUPAC Name]
MFCD08272862 [MDL number]
(2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)hept-6-enoic acid
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hept-6-enoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 589.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.6±3.0 kJ/mol
    Flash Point: 310.5±28.7 °C
    Index of Refraction: 1.587
    Molar Refractivity: 102.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 5.30
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 12.77
    ACD/KOC (pH 5.5): 57.94
    ACD/LogD (pH 7.4): 0.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.77
    Polar Surface Area: 76 Å2
    Polarizability: 40.5±0.5 10-24cm3
    Surface Tension: 50.6±3.0 dyne/cm
    Molar Volume: 303.8±3.0 cm3

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