ChemSpider 2D Image | (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-hexynoic acid | C21H19NO4

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

  • Molecular FormulaC21H19NO4
  • Average mass349.380 Da
  • Monoisotopic mass349.131409 Da
  • ChemSpider ID24747227

  • 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]-5-hexynoic acid
(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-hexinsäure [German] [ACD/IUPAC Name]
(2S)-2-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-5-hexynoic acid [ACD/IUPAC Name]
5-Hexynoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)- [ACD/Index Name]
942518-21-0 [RN]
Acide (2S)-2-{[(9H-fluorén-9-ylméthoxy)carbonyl]amino}-5-hexynoïque [French] [ACD/IUPAC Name]
(2S)-2-({[(9H-FLUOREN-9-YL)METHOXY]CARBONYL}AMINO)HEX-5-YNOIC ACID
(2S)-2-(Fmoc-amino)-5-hexynoic acid
(2S)-2-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}HEX-5-YNOIC ACID
(S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)hex-5-ynoic 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: 585.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 92.0±3.0 kJ/mol
    Flash Point: 308.0±30.1 °C
    Index of Refraction: 1.610
    Molar Refractivity: 95.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.38
    ACD/LogD (pH 5.5): 1.61
    ACD/BCF (pH 5.5): 2.93
    ACD/KOC (pH 5.5): 18.02
    ACD/LogD (pH 7.4): 0.20
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 37.9±0.5 10-24cm3
    Surface Tension: 57.6±3.0 dyne/cm
    Molar Volume: 276.0±3.0 cm3

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