Metabolite Chloramphenicol Oxamyl Glycine
- Name
- Chloramphenicol Oxamyl Glycine
- Description
- Not Available
- Structure
Structure for Chloramphenicol Oxamyl Glycine
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 341.276
Monoisotopic: 341.085914455 - Chemical Formula
- C13H15N3O8
- InChI Key
- CRVLILZMPNLLNZ-MWLCHTKSSA-N
- InChI
- InChI=1S/C13H15N3O8/c17-6-9(15-13(22)12(21)14-5-10(18)19)11(20)7-1-3-8(4-2-7)16(23)24/h1-4,9,11,17,20H,5-6H2,(H,14,21)(H,15,22)(H,18,19)/t9-,11-/m1/s1
- IUPAC Name
- 2-({[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl}formamido)acetic acid
- SMILES
- OC[C@@H](NC(=O)C(=O)NCC(O)=O)[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]- 170.65904 predictedDeepCCS 1.0 (2019) [M+H]+ 173.01703 predictedDeepCCS 1.0 (2019) [M+Na]+ 179.11018 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.615 mg/mL ALOGPS logP -0.84 ALOGPS logP -1.5 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 3.26 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 179.1 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 76.82 m3·mol-1 Chemaxon Polarizability 30.81 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