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Basic Information
CAS No.: 252260-02-9
Name: posizolid
Molecular Structure:
Molecular Structure of 252260-02-9 (posizolid)
Formula: C21H21 F2 N3 O7
Molecular Weight: 465.40
Synonyms: Pyridine, 4-[2,6-difluoro-4-[(5R)-5-[(3-isoxazolyloxy)methyl]-2-oxo-3-oxazolidinyl]phenyl]-1-[(2S)-2,3-dihydroxy-1-oxopropyl]-1,2,3,6-tetrahydro-(9CI); AZD 2563; Posizolid
Density: 1.491
Boiling Point: 724.5°Cat760mmHg
Flash Point: 392°C
PSA: 125.57000
LogP: 1.32880
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Chemistry

Molecular Structure of Posizolid (CAS No.252260-02-9):

Molecular Formula: C21H21F2N3O7 
Molecular Weight: 465.4041
CAS No: 252260-02-9
IUPAC Name: (5R)-3-[4-[1-[(2S)-2,3-Dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one 
H bond acceptors: 10
H bond donors: 2
Freely Rotating Bonds: 9
Polar Surface Area: 103.57 Å2
Index of Refraction: 1.595
Molar Refractivity: 106.18 cm3
Molar Volume: 312 cm3
Surface Tension: 63.3 dyne/cm
Density: 1.491 g/cm3
Flash Point: 392 °C
Enthalpy of Vaporization: 111.07 kJ/mol
Boiling Point: 724.5 °C at 760 mmHg
Vapour Pressure: 4.93E-22 mmHg at 25°C
InChI: InChI=1/C21H21F2N3O7/c22-15-7-13(26-9-14(33-21(26)30)11-31-18-3-6-32-24-18)8-16(23)19(15)12-1-4-25(5-2-12)20(29)17(28)10-27/h1,3,6-8,14,17,27-28H,2,4-5,9-11H2/t14-,17+/m1/s1
InChIKey: HBUJYEUPIIJJOS-PBHICJAKBA
Std. InChI: InChI=1S/C21H21F2N3O7/c22-15-7-13(26-9-14(33-21(26)30)11-31-18-3-6-32-24-18)8-16(23)19(15)12-1-4-25(5-2-12)20(29)17(28)10-27/h1,3,6-8,14,17,27-28H,2,4-5,9-11H2/t14-,17+/m1/s1
Std. InChIKey: HBUJYEUPIIJJOS-PBHICJAKSA-N

Specification

  Posizolid (CAS No.252260-02-9), its synonyms are (5R)-3-(4-(1-((2S)-2,3-Dihydroxypropanoyl)-1,2,3,6-tetrahydro-4-pyridyl)-3,5-difluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolan-2-one ; (5R)-3-(4-(1-((2S)-2,3-Dihydroxypropanoyl)-1,2,3,6-tetrahydro-4-pyridyl)-3,5-difluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one ; (5R)-3-(4-{1-[(2S)-2,3-Dihydroxypropanoyl]-1,2,3,6-tetrahydro-4-pyridyl}-3,5-difluorophenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolan-2-one ; (5R)-3-(4-{1-[(2S)-2,3-Dihydroxypropanoyl]-1,2,3,6-tetrahydropyridin-4-yl}-3,5-difluorophenyl)-5-[(1,2-oxazol-3-yloxy)methyl]-1,3-oxazolidin-2-one .