ChemSpider 2D Image | Betamethasone 9,11-Epoxide 17,21-Dipropionate | C28H36O7

Betamethasone 9,11-Epoxide 17,21-Dipropionate

  • Molecular FormulaC28H36O7
  • Average mass484.581 Da
  • Monoisotopic mass484.246094 Da
  • ChemSpider ID18541016

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(9β,11β,16β)-16-Methyl-3,20-dioxo-9,11-epoxypregna-1,4-dien-17,21-diyl-dipropanoat [German] [ACD/IUPAC Name]
(9β,11β,16β)-16-Methyl-3,20-dioxo-9,11-epoxypregna-1,4-diene-17,21-diyl dipropanoate [ACD/IUPAC Name]
66917-44-0 [RN]
Betamethasone 9,11-Epoxide 17,21-Dipropionate
Dipropanoate de (9β,11β,16β)-16-méthyl-3,20-dioxo-9,11-époxyprégna-1,4-diène-17,21-diyle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9,11-epoxy-16-methyl-17,21-bis(1-oxopropoxy)-, (9β,11β,16β)- [ACD/Index Name]
2-oxo-2-((4aS,4bS,5aS,6aS,7R,8S,9aS,9bS)-4a,6a,8-trimethyl-2-oxo-7-(propionyloxy)-2,4a,5a,6,6a,7,8,9,9a,9b,10,11-dodecahydrocyclopenta[1,2]phenanthro[4,4a-b]oxiren-7-yl)ethyl propionate

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

B79EV94J1X [DBID]
UNII:B79EV94J1X [DBID]
UNII-B79EV94J1X [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 597.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 89.0±3.0 kJ/mol
    Flash Point: 253.5±30.2 °C
    Index of Refraction: 1.565
    Molar Refractivity: 126.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 4.95
    ACD/LogD (pH 5.5): 3.88
    ACD/BCF (pH 5.5): 526.41
    ACD/KOC (pH 5.5): 3086.92
    ACD/LogD (pH 7.4): 3.88
    ACD/BCF (pH 7.4): 526.41
    ACD/KOC (pH 7.4): 3086.92
    Polar Surface Area: 99 Å2
    Polarizability: 50.2±0.5 10-24cm3
    Surface Tension: 50.0±5.0 dyne/cm
    Molar Volume: 389.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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