ChemSpider 2D Image | Triamcinolone acetonide-d7 | C24H24D7FO6

Triamcinolone acetonide-d7

  • Molecular FormulaC24H24D7FO6
  • Average mass441.541 Da
  • Monoisotopic mass441.254395 Da
  • ChemSpider ID68004060

  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluor-5-hydroxy-6b-[2-hydroxy(2-2H1)ethanoyl]-4a,6a-dimethyl-8,8-bis[(2H3)methyl]-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]ind eno[1,2-d][1,3]dioxol-2-on [German] [ACD/IUPAC Name]
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-6b-[2-hydroxy(2-2H1)ethanoyl]-4a,6a-dimethyl-8,8-bis[(2H3)methyl]-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]in deno[1,2-d][1,3]dioxol-2-one [ACD/IUPAC Name]
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-6b-[2-hydroxy(2-2H1)éthanoyl]-4a,6a-diméthyl-8,8-bis[(2H3)méthyl]-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodécahydro-2H-naphto[2',1':4,5]ind éno[1,2-d][1,3]dioxol-2-one [French] [ACD/IUPAC Name]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 4b-fluoro-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-6b-(2-hydroxy-1-oxoethyl-2-d)-4a,6a-dimethyl-8,8-di(methyl-d3)-, (4aS,4bR,5S,6 aS,6bS,9aR,10aS,10bS)- [ACD/Index Name]
Triamcinolone acetonide-d7
352431-33-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.2±6.0 kJ/mol
Flash Point: 302.7±30.1 °C
Index of Refraction: 1.589
Molar Refractivity: 109.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 53.25
ACD/KOC (pH 5.5): 598.86
ACD/LogD (pH 7.4): 2.57
ACD/BCF (pH 7.4): 53.25
ACD/KOC (pH 7.4): 598.85
Polar Surface Area: 93 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 324.8±5.0 cm3

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