ChemSpider 2D Image | Dexamethasone acefurate | C29H33FO8

Dexamethasone acefurate

  • Molecular FormulaC29H33FO8
  • Average mass528.566 Da
  • Monoisotopic mass528.215942 Da
  • ChemSpider ID571093

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(11b,16a)-21-(Acetyloxy)-9-fluoro-17-((2-furanylcarbonyl)oxy)-11-hydroxy-16-methylpregna-1,4-diene-3,20-dione
(11β,16α)-21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl furan-2-carboxylate
(11β,16α)-21-Acetoxy-9-fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl-2-furoat [German] [ACD/IUPAC Name]
(11β,16α)-21-Acetoxy-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl 2-furoate [ACD/IUPAC Name]
2-Furancarboxylic acid, (11β,16α)-21-(acetyloxy)-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
2-Furoate de (11β,16α)-21-acétoxy-9-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
83880-70-0 [RN]
9-Fluoro-11b,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-Acetate 17-(2-Furaoate)
9-Fluoro-11β,17,21-trihydroxy-16α-methylpregna-1,4-diene-3,20-dione 21-acetate 17-(2-furaoate)
Dexamethasone acefurate [USAN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6060 [DBID]
Sch 31353 [DBID]
D02591 [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: 649.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 346.4±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 132.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.17
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 290.83
ACD/KOC (pH 5.5): 2018.73
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 290.83
ACD/KOC (pH 7.4): 2018.72
Polar Surface Area: 120 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 54.7±5.0 dyne/cm
Molar Volume: 396.5±5.0 cm3

Click to predict properties on the Chemicalize site


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