ChemSpider 2D Image | Z-ALA-PRO-PNA | C22H24N4O6

Z-ALA-PRO-PNA

  • Molecular FormulaC22H24N4O6
  • Average mass440.449 Da
  • Monoisotopic mass440.169586 Da
  • ChemSpider ID18527416

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

66382-56-7 [RN]
L-Prolinamide, N-[(phenylmethoxy)carbonyl]-L-alanyl-N-(4-nitrophenyl)- [ACD/Index Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-N-(4-nitrophenyl)-L-prolinamid [German] [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-N-(4-nitrophenyl)-L-prolinamide [ACD/IUPAC Name]
N-[(Benzyloxy)carbonyl]-L-alanyl-N-(4-nitrophényl)-L-prolinamide [French] [ACD/IUPAC Name]
Z-ALA-PRO-PNA
benzyl ((S)-1-((S)-2-((4-nitrophenyl)carbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-yl)carbamate
BENZYL N-[(2S)-1-[(2S)-2-[(4-NITROPHENYL)CARBAMOYL]PYRROLIDIN-1-YL]-1-OXOPROPAN-2-YL]CARBAMATE
MFCD00238411

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 734.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 107.2±3.0 kJ/mol
    Flash Point: 398.0±32.9 °C
    Index of Refraction: 1.629
    Molar Refractivity: 115.2±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 3.35
    ACD/LogD (pH 5.5): 2.91
    ACD/BCF (pH 5.5): 95.47
    ACD/KOC (pH 5.5): 909.53
    ACD/LogD (pH 7.4): 2.91
    ACD/BCF (pH 7.4): 95.46
    ACD/KOC (pH 7.4): 909.42
    Polar Surface Area: 134 Å2
    Polarizability: 45.7±0.5 10-24cm3
    Surface Tension: 64.8±3.0 dyne/cm
    Molar Volume: 324.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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