ChemSpider 2D Image | 3-[(8S,10S,11S,13S,14S,16R,17R)-16-Acetoxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2,3-dioxopropyl acetate (non-pre ferred name) | C26H31FO9

3-[(8S,10S,11S,13S,14S,16R,17R)-16-Acetoxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2,3-dioxopropyl acetate (non-pre ferred name)

  • Molecular FormulaC26H31FO9
  • Average mass506.517 Da
  • Monoisotopic mass506.195221 Da
  • ChemSpider ID58819707

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

3-[(8S,10S,11S,13S,14S,16R,17R)-16-Acetoxy-9-fluor-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2,3-dioxopropyl-acetat (non-prefe rred name) [German] [ACD/IUPAC Name]
3-[(8S,10S,11S,13S,14S,16R,17R)-16-Acetoxy-9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl]-2,3-dioxopropyl acetate (non-pre ferred name) [ACD/IUPAC Name]
Acétate de 3-[(8S,10S,11S,13S,14S,16R,17R)-16-acétoxy-9-fluoro-11,17-dihydroxy-10,13-diméthyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodécahydro-3H-cyclopenta[a]phénanthrén-17-yl]-2,3-dioxopropyle (non -preferred name) [French] [ACD/IUPAC Name]
125022-46-0 [RN]
16-Acetoxy-17-acetoxymethyl-11,17-dihydroxy-D-homoandrosta-1,4-diene-3,17-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 630.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.9±6.0 kJ/mol
Flash Point: 335.4±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 121.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.20
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.43
ACD/KOC (pH 5.5): 100.99
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.43
ACD/KOC (pH 7.4): 100.91
Polar Surface Area: 144 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 365.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement