Metabolite Chloramphenicol 3-acetate
- Name
- Chloramphenicol 3-acetate
- Description
- Not Available
- Structure
Structure for Chloramphenicol 3-acetate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 365.16
Monoisotopic: 364.0228916 - Chemical Formula
- C13H14Cl2N2O6
- InChI Key
- VVOIFRARHIZCJD-GHMZBOCLSA-N
- InChI
- InChI=1S/C13H14Cl2N2O6/c1-7(18)23-6-10(16-13(20)12(14)15)11(19)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,19H,6H2,1H3,(H,16,20)/t10-,11-/m1/s1
- IUPAC Name
- (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl acetate
- SMILES
- CC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[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]- 169.88441 predictedDeepCCS 1.0 (2019) [M+H]+ 172.2424 predictedDeepCCS 1.0 (2019) [M+Na]+ 178.33556 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 75742
- ChEBI
- 16730
- ChEMBL
- CHEMBL4177469
- Predicted Properties
Property Value Source Water Solubility 0.16 mg/mL ALOGPS logP 1.73 ALOGPS logP 1.32 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 8.77 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 118.77 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 81.35 m3·mol-1 Chemaxon Polarizability 32.34 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon