Metabolite Chloramphenicol Alcohol
- Name
- Chloramphenicol Alcohol
- Description
- Not Available
- Structure
Structure for Chloramphenicol Alcohol
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 270.241
Monoisotopic: 270.085186179 - Chemical Formula
- C11H14N2O6
- InChI Key
- BZEQYQTWTWMDNK-MWLCHTKSSA-N
- InChI
- InChI=1S/C11H14N2O6/c14-5-9(12-10(16)6-15)11(17)7-1-3-8(4-2-7)13(18)19/h1-4,9,11,14-15,17H,5-6H2,(H,12,16)/t9-,11-/m1/s1
- IUPAC Name
- N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]-2-hydroxyacetamide
- SMILES
- OC[C@@H](NC(=O)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]- 153.40437 predictedDeepCCS 1.0 (2019) [M+H]+ 155.76237 predictedDeepCCS 1.0 (2019) [M+Na]+ 162.17717 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 8282673
- ZINC
- ZINC000002014950
- Predicted Properties
Property Value Source Water Solubility 2.78 mg/mL ALOGPS logP -0.59 ALOGPS logP -1.2 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 11.86 Chemaxon pKa (Strongest Basic) -2.8 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 132.93 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 63.92 m3·mol-1 Chemaxon Polarizability 25.1 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