ChemSpider 2D Image | (6alpha,11beta,16alpha,17alpha)-6,9-Difluoro-17-[(fluoromethoxy)carbonothioyl]-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate | C27H29F3O6S

(6α,11β,16α,17α)-6,9-Difluoro-17-[(fluoromethoxy)carbonothioyl]-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate

  • Molecular FormulaC27H29F3O6S
  • Average mass538.576 Da
  • Monoisotopic mass538.163696 Da
  • ChemSpider ID9401524
  • defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(6α,11β,16α,17α)-6,9-Difluor-17-[(fluormethoxy)carbonothioyl]-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl-2-furoat [German] [ACD/IUPAC Name]
(6α,11β,16α,17α)-6,9-Difluoro-17-[(fluoromethoxy)carbonothioyl]-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl 2-furoate [ACD/IUPAC Name]
2-Furancarboxylic acid, (6α,11β,16α,17α)-6,9-difluoro-17-[(fluoromethoxy)thioxomethyl]-11-hydroxy-16-methyl-3-oxoandrosta-1,4-dien-17-yl ester [ACD/Index Name]
2-Furoate de (6α,11β,16α,17α)-6,9-difluoro-17-[(fluorométhoxy)carbonothioyl]-11-hydroxy-16-méthyl-3-oxoandrosta-1,4-dién-17-yle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 618.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 328.0±34.3 °C
Index of Refraction: 1.587
Molar Refractivity: 129.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2176.32
ACD/KOC (pH 5.5): 8525.87
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 2176.30
ACD/KOC (pH 7.4): 8525.80
Polar Surface Area: 118 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 386.1±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement