ChemSpider 2D Image | N-[({(E)-[(3E)-17-Hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophan | C34H43N3O6

N-[({(E)-[(3E)-17-Hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophan

  • Molecular FormulaC34H43N3O6
  • Average mass589.722 Da
  • Monoisotopic mass589.315186 Da
  • ChemSpider ID17467771

  • 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

N-[({(E)-[(3E)-17-Hydroxy-20-oxopregn-4-en-3-yliden]amino}oxy)acetyl]tryptophan [German] [ACD/IUPAC Name]
N-[({(E)-[(3E)-17-Hydroxy-20-oxopregn-4-en-3-ylidene]amino}oxy)acetyl]tryptophan [ACD/IUPAC Name]
N-[2-({(E)-[(3E)-17-Hydroxy-20-oxoprégn-4-én-3-ylidène]amino}oxy)acétyl]tryptophane [French] [ACD/IUPAC Name]
Tryptophan, N-[2-[[[(3E)-17-hydroxy-20-oxopregn-4-en-3-ylidene]amino]oxy]acetyl]- [ACD/Index 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: 1.669
    Molar Refractivity: 159.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 4.88
    ACD/LogD (pH 5.5): 2.08
    ACD/BCF (pH 5.5): 6.26
    ACD/KOC (pH 5.5): 28.43
    ACD/LogD (pH 7.4): 0.77
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.39
    Polar Surface Area: 141 Å2
    Polarizability: 63.4±0.5 10-24cm3
    Surface Tension: 55.2±7.0 dyne/cm
    Molar Volume: 428.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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