ChemSpider 2D Image | 2?-cyano-9?-fluoro-11?,21-dihydroxy-16?,17?-isopropylidenedioxy-4-pregnene-3,20-dione | C25H32FNO6

2?-cyano-9?-fluoro-11?,21-dihydroxy-16?,17?-isopropylidenedioxy-4-pregnene-3,20-dione

  • Molecular FormulaC25H32FNO6
  • Average mass461.523 Da
  • Monoisotopic mass461.221375 Da
  • ChemSpider ID52083389

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3S,4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluor-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-3 -carbonitril [German] [ACD/IUPAC Name]
(3S,4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-5-hydroxy-6b-(2-hydroxyacétyl)-4a,6a,8,8-tétraméthyl-2-oxo-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tétradécahydro-2H-naphto[2',1':4,5]indéno[1,2-d][1,3] dioxole-3-carbonitrile [French] [ACD/IUPAC Name]
(3S,4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-4b-Fluoro-6b-glycoloyl-5-hydroxy-4a,6a,8,8-tetramethyl-2-oxo-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole -3-carbonitrile [ACD/IUPAC Name]
2?-cyano-9?-fluoro-11?,21-dihydroxy-16?,17?-isopropylidenedioxy-4-pregnene-3,20-dione
2H-Naphth[2',1':4,5]indeno[1,2-d][1,3]dioxole-3-carbonitrile, 4b-fluoro-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-5-hydroxy-6b-(2-hydroxyacetyl)-4a,6a,8,8-tetramethyl-2-oxo-, (3S,4aS,4bR, 5S,6aS,6bS,9aR,10aS,10bS)- [ACD/Index Name]
2839-33-0 [RN]
2α-CYANO-9α-FLUORO-11β,21-DIHYDROXY-16α,17α-ISOPROPYLIDENEDIOXY-4-PREGNENE-3,20-DIONE
UNII:4Z8NMP11S3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 637.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.3 mmHg at 25°C
Enthalpy of Vaporization: 107.9±6.0 kJ/mol
Flash Point: 339.4±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 114.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 117 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 341.8±5.0 cm3

Click to predict properties on the Chemicalize site


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