ChemSpider 2D Image | N-({[(17-Hydroxy-20-oxopregn-4-en-3-ylidene)amino]oxy}acetyl)glycine | C25H36N2O6

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

  • Molecular FormulaC25H36N2O6
  • Average mass460.563 Da
  • Monoisotopic mass460.257324 Da
  • ChemSpider ID29766864

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

Glycine, N-[2-[[(17-hydroxy-20-oxopregn-4-en-3-ylidene)amino]oxy]acetyl]- [ACD/Index Name]
N-({[(17-Hydroxy-20-oxopregn-4-en-3-yliden)amino]oxy}acetyl)glycin [German] [ACD/IUPAC Name]
N-({[(17-Hydroxy-20-oxopregn-4-en-3-ylidene)amino]oxy}acetyl)glycine [ACD/IUPAC Name]
N-(2-{[(17-Hydroxy-20-oxoprégn-4-én-3-ylidène)amino]oxy}acétyl)glycine [French] [ACD/IUPAC Name]
1033751-56-2 [RN]
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)acetic acid
2-[[2-[[(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetyl]amino]acetic acid

    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: 1.634
    Molar Refractivity: 120.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.77
    ACD/LogD (pH 5.5): 0.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.30
    ACD/LogD (pH 7.4): -1.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 125 Å2
    Polarizability: 47.7±0.5 10-24cm3
    Surface Tension: 53.4±7.0 dyne/cm
    Molar Volume: 336.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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