Metabolite Desmethyl tedizolid sulphate
- Name
- Desmethyl tedizolid sulphate
- Description
- Not Available
- Structure
Structure for Desmethyl tedizolid sulphate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 418.36
Monoisotopic: 418.050663975 - Chemical Formula
- C16H11FN6O5S
- InChI Key
- HNNZFSRMURLNLV-LLVKDONJSA-L
- InChI
- InChI=1S/C16H13FN6O5S/c17-13-5-10(23-7-11(28-16(23)24)8-29(25,26)27)2-3-12(13)9-1-4-14(18-6-9)15-19-21-22-20-15/h1-6,8,11H,7H2,(H2,25,26,27)(H,19,20,21,22)/p-2/t11-/m1/s1
- IUPAC Name
- {[(5R)-3-{3-fluoro-4-[6-(2H-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methylidene}(oxo)-lambda6-sulfanebis(olate)
- SMILES
- [O-]S([O-])(=O)=C[C@H]1CN(C(=O)O1)C1=CC(F)=C(C=C1)C1=CN=C(C=C1)C1=NNN=N1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 173.63954 predictedDeepCCS 1.0 (2019) [M+H]+ 176.0351 predictedDeepCCS 1.0 (2019) [M+Na]+ 181.94765 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.773 mg/mL ALOGPS logP 0.95 ALOGPS logP 2.19 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 1.7 Chemaxon pKa (Strongest Basic) -1.5 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 160.08 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 107.49 m3·mol-1 Chemaxon Polarizability 38.1 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon