ChemSpider 2D Image | Methyl N-[({(E)-[(3E,17alpha)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]histidinate | C28H40N4O5

Methyl N-[({(E)-[(3E,17α)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]histidinate

  • Molecular FormulaC28H40N4O5
  • Average mass512.641 Da
  • Monoisotopic mass512.299866 Da
  • ChemSpider ID17467948

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

Histidine, N-[2-[[[(3E,17α)-17-hydroxyandrost-4-en-3-ylidene]amino]oxy]acetyl]-, methyl ester [ACD/Index Name]
Methyl N-[({(E)-[(3E,17α)-17-hydroxyandrost-4-en-3-ylidene]amino}oxy)acetyl]histidinate [ACD/IUPAC Name]
Methyl-N-[({(E)-[(3E,17α)-17-hydroxyandrost-4-en-3-yliden]amino}oxy)acetyl]histidinat [German] [ACD/IUPAC Name]
N-[2-({(E)-[(3E,17α)-17-Hydroxyandrost-4-én-3-ylidène]amino}oxy)acétyl]histidinate de méthyle [French] [ACD/IUPAC Name]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.658
    Molar Refractivity: 136.9±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 3.46
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 14.56
    ACD/KOC (pH 5.5): 105.45
    ACD/LogD (pH 7.4): 3.37
    ACD/BCF (pH 7.4): 206.15
    ACD/KOC (pH 7.4): 1493.05
    Polar Surface Area: 126 Å2
    Polarizability: 54.3±0.5 10-24cm3
    Surface Tension: 52.9±7.0 dyne/cm
    Molar Volume: 371.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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