ChemSpider 2D Image | 21-HYDROXY TRIAMCINOLONE ACETONIDE | C24H31FO7

21-HYDROXY TRIAMCINOLONE ACETONIDE

  • Molecular FormulaC24H31FO7
  • Average mass450.497 Da
  • Monoisotopic mass450.205383 Da
  • ChemSpider ID27524369

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(2,2-Dihydroxyacétyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-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)-6b-(Dihydroxyacetyl)-4b-fluor-5-hydroxy-4a,6a,8,8-tetramethyl-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)-6b-(Dihydroxyacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-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]
161740-69-8 [RN]
21-HYDROXY TRIAMCINOLONE ACETONIDE
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one, 6b-(2,2-dihydroxyacetyl)-4b-fluoro-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-5-hydroxy-4a,6a,8,8-tetramethyl-, (4aS,4bR,5S,6aS,6bS,9aR,10aS,10 bS)- [ACD/Index Name]
9-Fluoro-11β,21,21-trihydroxy-16α,17-(1-methylethylidenedioxy)pregna-1,4-diene-3,20-dione

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

S0B64T183I [DBID]
UNII:S0B64T183I [DBID]
UNII-S0B64T183I [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 591.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.3±6.0 kJ/mol
Flash Point: 311.6±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 110.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 19.16
ACD/KOC (pH 5.5): 288.13
ACD/LogD (pH 7.4): 1.99
ACD/BCF (pH 7.4): 19.15
ACD/KOC (pH 7.4): 287.99
Polar Surface Area: 113 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 322.7±5.0 cm3

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