ChemSpider 2D Image | Fmoc-Asp(OBzl)-OPfp | C32H22F5NO6

Fmoc-Asp(OBzl)-OPfp

  • Molecular FormulaC32H22F5NO6
  • Average mass611.512 Da
  • Monoisotopic mass611.136719 Da
  • ChemSpider ID31027948

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Benzyl 1-(pentafluorophenyl) N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartate [ACD/IUPAC Name]
4-Benzyl-1-(pentafluorphenyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-aspartat [German] [ACD/IUPAC Name]
86061-03-2 [RN]
Fmoc-Asp(OBzl)-OPfp
L-Aspartic acid, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-, 1-(2,3,4,5,6-pentafluorophenyl) 4-(phenylmethyl) ester [ACD/Index Name]
N-[(9H-Fluorén-9-ylméthoxy)carbonyl]-L-aspartate de 4-benzyle et de 1-(pentafluorophényle) [French] [ACD/IUPAC Name]
(S)-4-Benzyl 1-(perfluorophenyl) 2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)succinate
[86061-03-2] [RN]
Fmoc-Asp(OBzl)-OC6F5
Fmoc-L-aspartic acid β-benzyl ester α-pentafluorophenyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 724.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 105.8±3.0 kJ/mol
    Flash Point: 392.1±32.9 °C
    Index of Refraction: 1.582
    Molar Refractivity: 144.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 8.61
    ACD/LogD (pH 5.5): 7.55
    ACD/BCF (pH 5.5): 319804.25
    ACD/KOC (pH 5.5): 303363.06
    ACD/LogD (pH 7.4): 7.54
    ACD/BCF (pH 7.4): 318378.34
    ACD/KOC (pH 7.4): 302010.44
    Polar Surface Area: 91 Å2
    Polarizability: 57.1±0.5 10-24cm3
    Surface Tension: 50.2±3.0 dyne/cm
    Molar Volume: 431.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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