Metabolite Chloramphenicol Oxamic Acid
- Name
- Chloramphenicol Oxamic Acid
- Description
- Not Available
- Structure
Structure for Chloramphenicol Oxamic Acid
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 284.224
Monoisotopic: 284.064450734 - Chemical Formula
- C11H12N2O7
- InChI Key
- MFFIAAULUPYJRN-RKDXNWHRSA-N
- InChI
- InChI=1S/C11H12N2O7/c14-5-8(12-10(16)11(17)18)9(15)6-1-3-7(4-2-6)13(19)20/h1-4,8-9,14-15H,5H2,(H,12,16)(H,17,18)/t8-,9-/m1/s1
- IUPAC Name
- {[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]carbamoyl}formic acid
- SMILES
- OC[C@@H](NC(=O)C(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]- 156.13658 predictedDeepCCS 1.0 (2019) [M+H]+ 158.49457 predictedDeepCCS 1.0 (2019) [M+Na]+ 164.5877 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.859 mg/mL ALOGPS logP -0.3 ALOGPS logP -0.44 Chemaxon logS -2.5 ALOGPS pKa (Strongest Acidic) 2.26 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 150 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 64.02 m3·mol-1 Chemaxon Polarizability 25.23 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