ChemSpider 2D Image | TRIAMCINOLONE METHYL ETHYL KETAL | C25H33FO6

TRIAMCINOLONE METHYL ETHYL KETAL

  • Molecular FormulaC25H33FO6
  • Average mass448.524 Da
  • Monoisotopic mass448.226105 Da
  • ChemSpider ID34995347

  • defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-8-Ethyl-4b-fluor-6b-glycoloyl-5-hydroxy-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on [German] [ACD/IUPAC Name]
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-8-Éthyl-4b-fluoro-5-hydroxy-6b-(2-hydroxyacétyl)-4a,6a,8-triméthyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodécahydro-2H-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-2-one [French] [ACD/IUPAC Name]
(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-8-Ethyl-4b-fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8-trimethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one [ACD/IUPAC Name]
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 8-ethyl-4b-fluoro-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-6b-(2-hydroxyacetyl)-4a,6a,8-trimethyl-, (4aS,4bR,5S,6aS,6bS,9aR,10aS,10 bS)- [ACD/Index Name]
3793-07-5 [RN]
TRIAMCINOLONE METHYL ETHYL KETAL
05/07/3793

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

UNII:XY0X0LLK7P [DBID]
XY0X0LLK7P [DBID]
UNII-XY0X0LLK7P [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: 586.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 308.4±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 82.70
ACD/KOC (pH 5.5): 820.68
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 82.70
ACD/KOC (pH 7.4): 820.68
Polar Surface Area: 93 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 53.7±5.0 dyne/cm
Molar Volume: 340.9±5.0 cm3

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