ChemSpider 2D Image | N-[({(E)-[(3E,8xi,9xi,14xi,17beta)-17-Hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]tryptophan | C33H41N3O5

N-[({(E)-[(3E,8ξ,9ξ,14ξ,17β)-17-Hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]tryptophan

  • Molecular FormulaC33H41N3O5
  • Average mass559.696 Da
  • Monoisotopic mass559.304626 Da
  • ChemSpider ID17469282

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 7 defined stereocentres

More details:

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

N-[({(E)-[(3E,8ξ,9ξ,14ξ,17β)-17-Hydroxy-17-methylandrosta-1,4-dien-3-yliden]amino}oxy)acetyl]tryptophan [German] [ACD/IUPAC Name]
N-[({(E)-[(3E,8ξ,9ξ,14ξ,17β)-17-Hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino}oxy)acetyl]tryptophan [ACD/IUPAC Name]
N-[2-({(E)-[(3E,8ξ,9ξ,14ξ,17β)-17-Hydroxy-17-méthylandrosta-1,4-dién-3-ylidène]amino}oxy)acétyl]tryptophane [French] [ACD/IUPAC Name]
Tryptophan, N-[2-[[[(3E,8ξ,9ξ,14ξ,17β)-17-hydroxy-17-methylandrosta-1,4-dien-3-ylidene]amino]oxy]acetyl]- [ACD/Index Name]
2-[[2-[(E)-[(10R,13S,17S)-17-hydroxy-10,13,17-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetyl]amino]-3-(1H-indol-3-yl)propanoic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.666
    Molar Refractivity: 154.3±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.11
    ACD/LogD (pH 5.5): 3.22
    ACD/BCF (pH 5.5): 45.70
    ACD/KOC (pH 5.5): 116.78
    ACD/LogD (pH 7.4): 1.92
    ACD/BCF (pH 7.4): 2.30
    ACD/KOC (pH 7.4): 5.87
    Polar Surface Area: 124 Å2
    Polarizability: 61.2±0.5 10-24cm3
    Surface Tension: 53.6±7.0 dyne/cm
    Molar Volume: 415.1±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement