ChemSpider 2D Image | Betamethasone 17 Valerate | C27H37FO6

Betamethasone 17 Valerate

  • Molecular FormulaC27H37FO6
  • Average mass476.578 Da
  • Monoisotopic mass476.257416 Da
  • ChemSpider ID22889294

  • defined stereocentres - 2 of 8 defined stereocentres

More details:

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

(8ξ,10ξ,13ξ,14ξ)-9-Fluor-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-ylvalerat [German] [ACD/IUPAC Name]
(8ξ,10ξ,13ξ,14ξ)-9-Fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl valerate [ACD/IUPAC Name]
Betamethasone 17 Valerate
Pentanoic acid, (8ξ,10ξ,13ξ,14ξ)-9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl ester [ACD/Index Name]
Valérate de (8ξ,10ξ,13ξ,14ξ)-9-fluoro-11,21-dihydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
(8ξ,10ξ,13ξ,14ξ)-9-fluoro-11,21-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl pentanoate
(βmethasone 17- valerate)Pentanoic acid 9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester
2152-44-5 [RN]
MFCD00867446 [MDL number]
Pentanoic acid (9R,17R)-9-fluoro-11-hydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 598.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.3±6.0 kJ/mol
Flash Point: 316.0±30.1 °C
Index of Refraction: 1.560
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 412.63
ACD/KOC (pH 5.5): 2593.11
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 412.63
ACD/KOC (pH 7.4): 2593.10
Polar Surface Area: 101 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 382.4±5.0 cm3

Click to predict properties on the Chemicalize site


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