ChemSpider 2D Image | (6alpha,11beta,16alpha)-6-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate | C27H37FO5

(6α,11β,16α)-6-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate

  • Molecular FormulaC27H37FO5
  • Average mass460.578 Da
  • Monoisotopic mass460.262512 Da
  • ChemSpider ID28604823

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(6α,11β,16α)-6-Fluor-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-ylvalerat [German] [ACD/IUPAC Name]
(6α,11β,16α)-6-Fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl valerate [ACD/IUPAC Name]
36130-02-6 [RN]
L E5 B666 OV AHTTT&J A1 CQ E1 FV1OV4 G1 LF &&stereoisomer [WLN]
Pentanoic acid, (6α,11β,16α)-6-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl ester [ACD/Index Name]
Valérate de (6α,11β,16α)-6-fluoro-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-21-yle [French] [ACD/IUPAC Name]
609-203-4 [EINECS]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 305.2±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 122.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 539.76
ACD/KOC (pH 5.5): 3142.77
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 539.76
ACD/KOC (pH 7.4): 3142.77
Polar Surface Area: 81 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 386.1±5.0 cm3

Click to predict properties on the Chemicalize site


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