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tedizolid phosphate

tedizolid phosphate

CAS: 856867-55-5

Formula: C17H16FN6O6P

SMILES: CN1N=NC(=N1)C1=CC=C(C=N1)C1=C(F)C=C(C=C1)N1C[C@H](COP(O)(O)=O)OC1=O

IUPAC: {[(5R)-3-{3-fluoro-4-[6-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methoxy}phosphonic acid

InChI: InChI=1S/C17H16FN6O6P/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(30-17(24)25)9-29-31(26,27)28/h2-7,12H,8-9H2,1H3,(H2,26,27,28)/t12-/m1/s1

Composition: C (45.34%), H (3.58%), F (4.22%), N (18.66%), O (21.32%), P (6.88%)

Molar Mass: 450.323

Atom Count: 47

Heavy Atom Count: 31

Properties
Properties
Common Names tedizolid phosphate
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 450.08529742
Formal Charge 0
FSP3 0.24
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 9
Hydrogen Bond Donor Count 2
InChIKey QCGUSIANLFXSGE-GFCCVEGCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 125.93
Topological Polar Surface Area 152.79
Polarizability 40.79
Ring Count 4
Rotatable Bond Count 6

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