Chemical Properties of Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate

Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate

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InChI
InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3
InChI Key
SYWHXTATXSMDSB-UHFFFAOYSA-N
Formula
C23H31FO6
SMILES
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3(F)C(O)CC21C
Molecular Weight1
422.49
Sources

Physical Properties

Property Value Unit Source
Δf -653.36 kJ/mol Joback Calculated Property
Δfgas -1207.05 kJ/mol Joback Calculated Property
Δfus 31.37 kJ/mol Joback Calculated Property
Δvap 115.42 kJ/mol Joback Calculated Property
logPoct/wat 2.44 Crippen Calculated Property
Pc 1741.91 kPa Joback Calculated Property
Tboil 1146.65 K Joback Calculated Property
Tc 1403.87 K Joback Calculated Property
Tfus 811.83 K Joback Calculated Property
Vc 1.18 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1347.86 J/mol×K 1146.65 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-CH3 3
=CH- (ring) 1
-OH (alcohol) 2
=C< (ring) 1
-CH2- 1
-F 1
>C< (ring) 4
>C=O (nonring) 2
>CH- (ring) 3
-CH2- (ring) 7
>C=O (ring) 1

Similar Compounds

Prednisolone, 9alpha-fluoro-16alpha-methyl-, acetate. Betamethasone dipropionate. Dexamethasone. Betamethasone. TRIAMCINOLONE DIACETATE. Triamcinolone. Fluoxymesterone. Dexamethasone, disodium phosphate. 9Alpha-fluoro-16alpha-methylprednisolone-21-phosphate disodium salt. 17-epi-Fluoxymesterone, 17-TMS. Triamcinolone acetonide. Hydrocortisone Acetate. Pregn-4-ene-3,20-dione,11beta,17alpha,21-trihydroxy-,21 acetate. Fluoxymesterone ditms. Dexamethasone tetra-TMS.

Find more compounds similar to Pregn-4-ene-3,20-dione, 9alpha-fluoro-11,17alpha,21-trihydroxy-, 21- acetate.

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