Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-6-fluoro-11,17-dihydroxy-, (6a,11b)- (9CI) (570-36-5)

The 6alpha-Fluoroprednisolone acetate with the cas number 570-36-5 is also called Pregna-1,4-diene-3,20-dione,21-(acetyloxy)-6-fluoro-11,17-dihydroxy-, (6a,11b)- (9CI). The systematic name is (6α,11β)-6-fluoro-11,17-dihydroxy-3,20-dioxopregna-1,4-dien-21-yl acetate. Its EINECS registry number is 209-330-1. The molecular formula is C₂₃H₂₉FO₆. The product category is Pharmaceutical Raw Materials.

The properties of the chemical are: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.13; (4)ACD/LogD (pH 7.4): 2.13; (5)ACD/BCF (pH 5.5): 24.31; (6)ACD/BCF (pH 7.4): 24.31; (7)ACD/KOC (pH 5.5): 341.63; (8)ACD/KOC (pH 7.4): 341.62; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 78.9 Å²; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 105.16 cm³; (15)Molar Volume: 318.1 cm³; (16)Polarizability: 41.68×10^-24cm³; (17)Surface Tension: 54 dyne/cm; (18)Enthalpy of Vaporization: 99.84 kJ/mol; (19)Vapour Pressure: 6.04×10^-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(=O)[C@@]1(O)CC[C@H]2[C@H]4[C@H]([C@@H](O)C[C@]12C)[C@]/3(/C=C\C(=O)\C=C\3[C@@H](F)C4)C)C
(2)InChI: InChI=1/C23H29FO6/c1-12(25)30-11-19(28)23(29)7-5-15-14-9-17(24)16-8-13(26)4-6-21(16,2)20(14)18(27)10-22(15,23)3/h4,6,8,14-15,17-18,20,27,29H,5,7,9-11H2,1-3H3/t14-,15-,17-,18-,20+,21-,22-,23-/m0/s1
(3)InChIKey: CYMBAKFTWRNHPS-APRQOCPKBE