Basic Information | Post buying leads | Suppliers |
Name |
Fluocortolone trimethylacetate |
EINECS | N/A |
CAS No. | 20380-10-3 | Density | 1.19 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C27H37FO5 | Boiling Point | 572.3 °C at 760 mmHg |
Molecular Weight | 460.5781 | Flash Point | 299.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ficoid 5, ultraproct;Fluocortolone 21-pivalate; |
The Fluocortolone trimethylacetate, with the CAS registry number 20380-10-3, is also known as Fluocortolone 21-Pivalate. This chemical's molecular formula is C27H37FO5 and molecular weight is 460.5781. What's more, its systematic name is (6α, 11β, 16α)-6-Fluoro-11-hydroxy-16-methyl-3, 20-dioxopregna-1, 4-dien-21-yl 2, 2-dimethylpropanoate.
Physical properties about Fluocortolone trimethylacetate are: (1)ACD/LogP: 4.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.2; (4)ACD/LogD (pH 7.4): 4.2; (5)ACD/BCF (pH 5.5): 921.39; (6)ACD/BCF (pH 7.4): 921.39; (7)ACD/KOC (pH 5.5): 4608.4; (8)ACD/KOC (pH 7.4): 4608.4; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 69.67 Å2; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 122.1 cm3; (15)Molar Volume: 386.5 cm3; (16)Polarizability: 48.4×10-24 cm3; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 299.9 °C; (20)Enthalpy of Vaporization: 98.54 kJ/mol; (21)Boiling Point: 572.3 °C at 760 mmHg; (22)Vapour Pressure: 1.76E-15 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(=O)[C@H]1[C@@H](C[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)C(C)(C)C
(2) InChI: InChI=1/C27H37FO5/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-26(18,5)23(16)20(30)12-27(17,6)22(14)21(31)13-33-24(32)25(2,3)4/h7-8,10,14,16-17,19-20,22-23,30H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,22-,23-,26+,27+/m1/s1
(3) InChIKey: XZBJVIQXJHGUBE-HZMVJJPJBK