ChemSpider 2D Image | DESONIDE 21-ACETATE | C26H34O7

DESONIDE 21-ACETATE

  • Molecular FormulaC26H34O7
  • Average mass458.544 Da
  • Monoisotopic mass458.230438 Da
  • ChemSpider ID18513992

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl acetate [ACD/IUPAC Name]
2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-Hydroxy-4a,6a,8,8-tetramethyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl-acetat [German] [ACD/IUPAC Name]
25092-25-5 [RN]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 6b-[2-(acetyloxy)acetyl]-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-, (4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)- [ACD/Index Name]
Acétate de 2-[(4aR,4bS,5S,6aS,6bS,9aR,10aS,10bS)-5-hydroxy-4a,6a,8,8-tétraméthyl-2-oxo-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodécahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-6b-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
DESONIDE 21-ACETATE

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

45JZL0UFSD [DBID]
UNII:45JZL0UFSD [DBID]
UNII-45JZL0UFSD [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 592.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.8 mmHg at 25°C
    Enthalpy of Vaporization: 101.4±6.0 kJ/mol
    Flash Point: 195.7±23.6 °C
    Index of Refraction: 1.578
    Molar Refractivity: 118.8±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.73
    ACD/LogD (pH 5.5): 3.47
    ACD/BCF (pH 5.5): 254.96
    ACD/KOC (pH 5.5): 1837.23
    ACD/LogD (pH 7.4): 3.47
    ACD/BCF (pH 7.4): 254.96
    ACD/KOC (pH 7.4): 1837.23
    Polar Surface Area: 99 Å2
    Polarizability: 47.1±0.5 10-24cm3
    Surface Tension: 52.7±5.0 dyne/cm
    Molar Volume: 357.9±5.0 cm3

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