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WIN 5063-3

CAT: 0931-T26330-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26330-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
19934-71-5
Target
Others, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
WIN 5063-3 is the enantiomeric analog of the antimicrobial Thiamphenicol.
Smiles
[C@H]([C@@H](NC(C(Cl)Cl)=O)CO)(O)C1=CC=C(S(C)(=O)=O)C=C1
Molecular Formula
C12H15Cl2NO5S
Molecular Weight
356.22
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

ent-Thiamphenicol
CAS Number19934-71-5
PubChem CID146678
IUPAC Name2,2-dichloro-N-[(1S,2S)-1,3-dihydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
Molecular FormulaC12H15Cl2NO5S
Molecular Weight356.2
XLogP-0.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity443
SMILES
CS(=O)(=O)C1=CC=C(C=C1)[C@@H]([C@H](CO)NC(=O)C(Cl)Cl)O
InChI
InChI=1S/C12H15Cl2NO5S/c1-21(19,20)8-4-2-7(3-5-8)10(17)9(6-16)15-12(18)11(13)14/h2-5,9-11,16-17H,6H2,1H3,(H,15,18)/t9-,10-/m0/s1
InChIKey
OTVAEFIXJLOWRX-UWVGGRQHSA-N
Chemical Structure
2D Structure
2D structure of ent-Thiamphenicol
CAS: 19934-71-5
CID: 146678
Formula: C12H15Cl2NO5S
MW: 356.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.2
XLogP3-0.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass355.0047991
Monoisotopic Mass355.0047991
Topological Polar Surface Area112 Ų
Heavy Atom Count21
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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