ChemSpider 2D Image | N-[({(Z)-[(3Z)-17-Hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]alanylnorvaline | C31H45N3O6

N-[({(Z)-[(3Z)-17-Hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]alanylnorvaline

  • Molecular FormulaC31H45N3O6
  • Average mass555.706 Da
  • Monoisotopic mass555.330811 Da
  • ChemSpider ID17467364

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 8 defined stereocentres

More details:

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

N-[({(Z)-[(3Z)-17-Hydroxypregn-4-en-20-in-3-yliden]amino}oxy)acetyl]alanylnorvalin [German] [ACD/IUPAC Name]
N-[({(Z)-[(3Z)-17-Hydroxypregn-4-en-20-yn-3-ylidene]amino}oxy)acetyl]alanylnorvaline [ACD/IUPAC Name]
N-[2-({(Z)-[(3Z)-17-Hydroxyprégn-4-én-20-yn-3-ylidène]amino}oxy)acétyl]alanylnorvaline [French] [ACD/IUPAC Name]
Norvaline, N-[2-[[[(3Z)-17-hydroxypregn-4-en-20-yn-3-ylidene]amino]oxy]acetyl]alanyl- [ACD/Index Name]

    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: 1.609
    Molar Refractivity: 150.7±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.31
    ACD/LogD (pH 5.5): 1.87
    ACD/BCF (pH 5.5): 4.34
    ACD/KOC (pH 5.5): 21.88
    ACD/LogD (pH 7.4): 0.56
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.07
    Polar Surface Area: 137 Å2
    Polarizability: 59.7±0.5 10-24cm3
    Surface Tension: 47.9±7.0 dyne/cm
    Molar Volume: 435.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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