ChemSpider 2D Image | Methyl [({[(17-hydroxy-20-oxopregn-4-en-3-ylidene)amino]oxy}acetyl)amino](phenyl)acetate | C32H42N2O6

Methyl [({[(17-hydroxy-20-oxopregn-4-en-3-ylidene)amino]oxy}acetyl)amino](phenyl)acetate

  • Molecular FormulaC32H42N2O6
  • Average mass550.686 Da
  • Monoisotopic mass550.304260 Da
  • ChemSpider ID29766974

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

[(2-{[(17-Hydroxy-20-oxoprégn-4-én-3-ylidène)amino]oxy}acétyl)amino](phényl)acétate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[[2-[[(17-hydroxy-20-oxopregn-4-en-3-ylidene)amino]oxy]acetyl]amino]-, methyl ester [ACD/Index Name]
Methyl [({[(17-hydroxy-20-oxopregn-4-en-3-ylidene)amino]oxy}acetyl)amino](phenyl)acetate [ACD/IUPAC Name]
Methyl-[({[(17-hydroxy-20-oxopregn-4-en-3-yliden)amino]oxy}acetyl)amino](phenyl)acetat [German] [ACD/IUPAC Name]
1039700-30-5 [RN]
methyl 2-(2-((((8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-7,8,9,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H,6H,10H)-ylidene)amino)oxy)acetamido)-2-phenylacetate

    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: 1.620
    Molar Refractivity: 150.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.21
    ACD/LogD (pH 5.5): 4.44
    ACD/BCF (pH 5.5): 1390.45
    ACD/KOC (pH 5.5): 6186.85
    ACD/LogD (pH 7.4): 4.44
    ACD/BCF (pH 7.4): 1390.45
    ACD/KOC (pH 7.4): 6186.83
    Polar Surface Area: 114 Å2
    Polarizability: 59.6±0.5 10-24cm3
    Surface Tension: 48.6±7.0 dyne/cm
    Molar Volume: 428.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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