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433953-58-3

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Basic Information
CAS No.: 433953-58-3
Name: 2-Oxazolidinone, 3-[(5S)-5-(acetyloxy)-5-(4-fluorophenyl)-1-oxopentyl]-4-phenyl-, (4S)-
Molecular Structure:
Molecular Structure of 433953-58-3 (2-Oxazolidinone, 3-[(5S)-5-(acetyloxy)-5-(4-fluorophenyl)-1-oxopentyl]-4-phenyl-, (4S)-)
Formula: C22H22FNO5
Molecular Weight: 399.4122
Synonyms: [(1S)-1-(4-Fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-oxazolidin-3-yl]pentyl] acetate;(1S)-5-((4S)-2-oxo-4-phenyl(1,3-oxazolidin-3-yl))-1-(4-fluorophenyl)-5-oxopentyl acetate;
Density: 1.27 g/cm3
Boiling Point: 568.893 °C at 760 mmHg
Flash Point: 297.856 °C
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Specification

The 2-Oxazolidinone, 3-[(5S)-5-(acetyloxy)-5-(4-fluorophenyl)-1-oxopentyl]-4-phenyl-, (4S)-, with the CAS registry number 214360-49-3, is also known as (1S)-5-((4S)-2-Oxo-4-phenyl(1,3-oxazolidin-3-yl))-1-(4-fluorophenyl)-5-oxopentyl acetate. This chemical's molecular formula is C22H22FNO5 and molecular weight is 399.4122. What's more, its IUPAC name and systematic name are the same which is called [(1S)-1-(4-Fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-oxazolidin-3-yl]pentyl] acetate.

Physical properties about 2-Oxazolidinone, 3-[(5S)-5-(acetyloxy)-5-(4-fluorophenyl)-1-oxopentyl]-4-phenyl-, (4S)-: (1)ACD/LogP: 3.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.523; (4)ACD/LogD (pH 7.4): 3.523; (5)ACD/BCF (pH 5.5): 280.04; (6)ACD/BCF (pH 7.4): 280.04; (7)ACD/KOC (pH 5.5): 1964.834; (8)ACD/KOC (pH 7.4): 1964.834; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 72.91 Å2; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 102.21 cm3; (15)Molar Volume: 314.429 cm3; (16)Surface Tension: 49.607 dyne/cm; (17)Density: 1.27 g/cm3; (18)Flash Point: 297.856 °C; (19)Enthalpy of Vaporization: 85.364 kJ/mol; (20)Boiling Point: 568.893 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILESCC(=O)O[C@@H](CCCC(=O)N1[C@H](COC1=O)c2ccccc2)c3ccc(cc3)F:
(2) InChI: InChI=1/C22H22FNO5/c1-15(25)29-20(17-10-12-18(23)13-11-17)8-5-9-21(26)24-19(14-28-22(24)27)16-6-3-2-4-7-16/h2-4,6-7,10-13,19-20H,5,8-9,14H2,1H3/t19-,20+/m1/s1
(3) InChIKey: RVZCOWDYEYRQKT-UXHICEINBR