ChemSpider 2D Image | MFCD00572649 | C28H45N3O5

MFCD00572649

  • Molecular FormulaC28H45N3O5
  • Average mass503.674 Da
  • Monoisotopic mass503.335907 Da
  • ChemSpider ID2595916

More details:

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

2-(3-(N'-OCTADECANOYL-HYDRAZINO)-3-OXO-PROPIONYLAMINO)-BENZOIC ACID
2-{[3-Oxo-3-(2-stearoylhydrazino)propanoyl]amino}benzoesäure [German] [ACD/IUPAC Name]
2-{[3-Oxo-3-(2-stearoylhydrazino)propanoyl]amino}benzoic acid [ACD/IUPAC Name]
Acide 2-{[3-oxo-3-(2-stearoylhydrazino)propanoyl]amino}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[1,3-dioxo-3-[2-(1-oxooctadecyl)hydrazinyl]propyl]amino]- [ACD/Index Name]
MFCD00572649
2-(3-oxo-3-(2-stearoylhydrazinyl)propanamido)benzoic acid
2-[[3-(2-octadecanoylhydrazinyl)-3-oxopropanoyl]amino]benzoic acid
2-[3-(N'-Octadecanoyl-hydrazino)-3-oxo-propionylamino]-benzoic acid
2-{[3-(2-octadecanoylhydrazinyl)-3-oxopropanoyl]amino}benzoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 737.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.9±3.0 kJ/mol
    Flash Point: 400.0±28.7 °C
    Index of Refraction: 1.532
    Molar Refractivity: 142.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 21
    #Rule of 5 Violations: 2
    ACD/LogP: 9.01
    ACD/LogD (pH 5.5): 6.22
    ACD/BCF (pH 5.5): 10683.28
    ACD/KOC (pH 5.5): 7353.31
    ACD/LogD (pH 7.4): 5.07
    ACD/BCF (pH 7.4): 740.03
    ACD/KOC (pH 7.4): 509.37
    Polar Surface Area: 125 Å2
    Polarizability: 56.6±0.5 10-24cm3
    Surface Tension: 45.3±3.0 dyne/cm
    Molar Volume: 460.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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