ChemSpider 2D Image | (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-5-hexenoic acid | C22H23NO4

(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-5-hexenoic acid

  • Molecular FormulaC22H23NO4
  • Average mass365.422 Da
  • Monoisotopic mass365.162720 Da
  • ChemSpider ID28475026

  • 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]-2-methyl-5-hexenoic acid
(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2-methyl-5-hexenoic acid [ACD/IUPAC Name]
(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-2-methyl-5-hexensäure [German] [ACD/IUPAC Name]
288617-72-1 [RN]
5-Hexenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2S)- [ACD/Index Name]
Acide (2S)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-2-méthyl-5-hexénoïque [French] [ACD/IUPAC Name]
(2S)-2-({[(9H-Fluoren-9-yl)methoxy]carbonyl}amino)-2-methylhex-5-enoic acid
(2s)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-2-methylhex-5-enoic acid
(2S)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-2-METHYLHEX-5-ENOIC ACID
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-methylhex-5-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: 575.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.7±3.0 kJ/mol
    Flash Point: 301.9±28.7 °C
    Index of Refraction: 1.588
    Molar Refractivity: 102.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 5.13
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 18.44
    ACD/KOC (pH 5.5): 80.81
    ACD/LogD (pH 7.4): 1.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.16
    Polar Surface Area: 76 Å2
    Polarizability: 40.5±0.5 10-24cm3
    Surface Tension: 50.2±3.0 dyne/cm
    Molar Volume: 303.5±3.0 cm3

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