Found 18 results

Search term: MF = 'C_{34}H_{41}NO_{10}'
ChemSpider 2D Image | N-(4-{[(11beta)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)-beta-hydroxyphenylalanine | C34H41NO10

N-(4-{[(11β)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)-β-hydroxyphenylalanine

  • Molecular FormulaC34H41NO10
  • Average mass623.690 Da
  • Monoisotopic mass623.273071 Da
  • ChemSpider ID17467468

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

N-(4-{[(11β)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)-β-hydroxyphenylalanin [German] [ACD/IUPAC Name]
N-(4-{[(11β)-11,17-Dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy}-4-oxobutanoyl)-β-hydroxyphenylalanine [ACD/IUPAC Name]
N-(4-{[(11β)-11,17-Dihydroxy-3,20-dioxoprégna-1,4-dién-21-yl]oxy}-4-oxobutanoyl)-β-hydroxyphénylalanine [French] [ACD/IUPAC Name]
Phenylalanine, N-[4-[[(11β)-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl]oxy]-1,4-dioxobutyl]-β-hydroxy- [ACD/Index Name]
1491228-63-7 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 891.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 135.8±3.0 kJ/mol
    Flash Point: 493.2±34.3 °C
    Index of Refraction: 1.632
    Molar Refractivity: 159.8±0.4 cm3
    #H bond acceptors: 11
    #H bond donors: 5
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 3
    ACD/LogP: 2.80
    ACD/LogD (pH 5.5): -0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.52
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 188 Å2
    Polarizability: 63.4±0.5 10-24cm3
    Surface Tension: 70.6±5.0 dyne/cm
    Molar Volume: 447.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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