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Tedizolid Pyrophosphate Ester

CAT: 1596-AR-T01307-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T01307-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1239662-48-6
Synonyms
((R) -3- (3-fluoro-4- (6- (2-methyl-2H-tetrazol-5-yl) pyridin-3-yl) phenyl) -2-oxooxazolidin-5-yl) methyl trihydrogen diphosphate
Molecular Formula
C17H17FN6O9P2
Molecular Weight
530.31
API Name
Tedizolid

Chemical Information

Tedizolid Pyrophosphate Ester
CAS Number1239662-48-6
PubChem CID59477110
IUPAC Name[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphono hydrogen phosphate
Molecular FormulaC17H17FN6O9P2
Molecular Weight530.3
XLogP-0.8
Topological Polar Surface Area199
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity870
SMILES
CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)COP(=O)(O)OP(=O)(O)O)F
InChI
InChI=1S/C17H17FN6O9P2/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(32-17(24)25)9-31-35(29,30)33-34(26,27)28/h2-7,12H,8-9H2,1H3,(H,29,30)(H2,26,27,28)/t12-/m1/s1
InChIKey
PVIASTLQSNHOKD-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of Tedizolid Pyrophosphate Ester
CAS: 1239662-48-6
CID: 59477110
Formula: C17H17FN6O9P2
MW: 530.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.3
XLogP3-0.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass530.05162830
Monoisotopic Mass530.05162830
Topological Polar Surface Area199 Ų
Heavy Atom Count35
Formal Charge0
Complexity870
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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