Metabolite Chloramphenicol Oxamyl Ethanolamine
- Name
- Chloramphenicol Oxamyl Ethanolamine
- Description
- Not Available
- Structure
Structure for Chloramphenicol Oxamyl Ethanolamine
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 313.266
Monoisotopic: 313.090999835 - Chemical Formula
- C12H15N3O7
- InChI Key
- LPXRAZLOSBUYEC-NXEZZACHSA-N
- InChI
- InChI=1S/C12H15N3O7/c16-5-9(14-12(20)11(19)13-6-17)10(18)7-1-3-8(4-2-7)15(21)22/h1-4,9-10,16-18H,5-6H2,(H,13,19)(H,14,20)/t9-,10-/m1/s1
- IUPAC Name
- N'-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-N-(hydroxymethyl)ethanediamide
- SMILES
- OCNC(=O)C(=O)N[C@H](CO)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O
- Reactions
- Chloramphenicol succinate Chloramphenicol
- Chloramphenicol Chloramphenicol Sulfate
- Chloramphenicol Chloramphenicol Phosphate
- Chloramphenicol Chloramphenicol 3-acetate
- Chloramphenicol Chloramphenicol Alcohol
- Chloramphenicol Chloramphenicol Oxamic Acid
- Chloramphenicol Chloramphenicol Aryl Amine
- Chloramphenicol Chloramphenicol Base
- Chloramphenicol Chloramphenicol Glucuronide
- Chloramphenicol succinate Chloramphenicol
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 167.65382 predictedDeepCCS 1.0 (2019) [M+H]+ 170.01183 predictedDeepCCS 1.0 (2019) [M+Na]+ 176.10497 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1.04 mg/mL ALOGPS logP -0.96 ALOGPS logP -1.6 Chemaxon logS -2.5 ALOGPS pKa (Strongest Acidic) 10.7 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 162.03 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 71.84 m3·mol-1 Chemaxon Polarizability 28.82 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon