ChemSpider 2D Image | (7alpha,11beta,16alpha)-21-Acetoxy-7-bromo-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate | C31H35BrO7

(7α,11β,16α)-21-Acetoxy-7-bromo-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate

  • Molecular FormulaC31H35BrO7
  • Average mass599.509 Da
  • Monoisotopic mass598.156616 Da
  • ChemSpider ID166562

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7α,11β,16α)-21-Acetoxy-7-brom-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl-benzoat [German] [ACD/IUPAC Name]
(7α,11β,16α)-21-Acetoxy-7-bromo-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl benzoate [ACD/IUPAC Name]
Benzoate de (7α,11β,16α)-21-acétoxy-7-bromo-11-hydroxy-16-méthyl-3,20-dioxoprégna-1,4-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-17-(benzoyloxy)-7-bromo-11-hydroxy-16-methyl-, (7α,11β,16α)- [ACD/Index Name]
67212-62-8 [RN]
7α-Bromo-16α-methylprednisolone 17-benzoate 21-acetate

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

Sch 23409 [DBID]
Sch-23409 [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: 691.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 371.7±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 147.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 4689.15
ACD/KOC (pH 5.5): 14769.39
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 4689.15
ACD/KOC (pH 7.4): 14769.39
Polar Surface Area: 107 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 423.0±5.0 cm3

Click to predict properties on the Chemicalize site


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