Pregna-1,4-diene-3,20-dione,6-fluoro-11,17,21-trihydroxy-, (6a,11b)- (53-34-9)

The Fluprednisolone with the cas number 53-34-9 is also called Pregna-1,4-diene-3,20-dione,6-fluoro-11,17,21-trihydroxy-, (6a,11b)-. The IUPAC name is (6S,8S,9S,10R,11S,13S,14S,17R)-6-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one. Its EINECS registry number is 200-170-8. The molecular formula is C₂₁H₂₇FO₅. This chemical belongs to the following product categories: (1)Alphabetic; (2)F; (3)FA - FL.

The properties of the chemical are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.62; (6)ACD/BCF (pH 7.4): 3.62; (7)ACD/KOC (pH 5.5): 87.43; (8)ACD/KOC (pH 7.4): 87.43; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 61.83 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 95.57 cm³; (15)Molar Volume: 280.2 cm³; (16)Polarizability: 37.88×10^-24cm³; (17)Surface Tension: 58.1 dyne/cm; (18)Enthalpy of Vaporization: 98.53 kJ/mol; (19)Vapour Pressure: 1.77×10^-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1\C=C/[C@]4(/C(=C/1)[C@@H](F)C[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C
(2)InChI: InChI=1/C21H27FO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15-16,18,23,25,27H,4,6,8-10H2,1-2H3/t12-,13-,15-,16-,18+,19-,20-,21-/m0/s1
(3)InChIKey: MYYIMZRZXIQBGI-HVIRSNARBK