Metabolite Chloramphenicol Glucuronide
- Name
- Chloramphenicol Glucuronide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 499.25
Monoisotopic: 498.0444149 - Chemical Formula
- C17H20Cl2N2O11
- InChI Key
- UARPTSDFEIFMJP-MHAOEYFFSA-N
- InChI
- InChI=1S/C17H20Cl2N2O11/c18-14(19)15(26)20-8(9(22)6-1-3-7(4-2-6)21(29)30)5-31-17-12(25)10(23)11(24)13(32-17)16(27)28/h1-4,8-14,17,22-25H,5H2,(H,20,26)(H,27,28)/t8-,9-,10+,11+,12-,13+,17?/m1/s1
- IUPAC Name
- (2S,3S,4S,5R)-6-[(2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- O[C@@H]([C@@H](COC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)NC(=O)C(Cl)Cl)C1=CC=C(C=C1)[N+]([O-])=O
- Reactions
- Chloramphenicol succinate Chloramphenicol
- Chloramphenicol Chloramphenicol Sulfate
- Chloramphenicol Chloramphenicol Phosphate
- Chloramphenicol Chloramphenicol 3-acetate
- Chloramphenicol 3-acetate Chloramphenicol 1-acetate
- Chloramphenicol 1-acetate Chloramphenicol 1,3-diacetate
- Chloramphenicol 3-acetate Chloramphenicol 1-acetate
- Chloramphenicol Chloramphenicol Alcohol
- Chloramphenicol Alcohol Chloramphenicol Oxamic Acid
- Chloramphenicol Oxamic Acid Chloramphenicol Oxamyl Ethanolamine
- Chloramphenicol Oxamic Acid Chloramphenicol Oxamyl Glycine
- Chloramphenicol Alcohol Chloramphenicol Oxamic Acid
- Chloramphenicol Chloramphenicol Oxamic Acid
- Chloramphenicol Oxamic Acid Chloramphenicol Oxamyl Ethanolamine
- Chloramphenicol Oxamic Acid Chloramphenicol Oxamyl Glycine
- Chloramphenicol Chloramphenicol Aryl Amine
- Chloramphenicol Aryl Amine Chloramphenicol Aryl Amide
- Chloramphenicol Chloramphenicol Base
- Chloramphenicol Base Chloramphenicol Base N-acetyl
- Chloramphenicol Chloramphenicol Glucuronide
- Chloramphenicol succinate Chloramphenicol
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 191.55214 predictedDeepCCS 1.0 (2019) [M+H]+ 193.77043 predictedDeepCCS 1.0 (2019) [M+Na]+ 199.6742 predictedDeepCCS 1.0 (2019) - External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 1.08 mg/mL ALOGPS logP -0.22 ALOGPS logP -0.57 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 3.12 Chemaxon pKa (Strongest Basic) -3.4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 208.92 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 104.48 m3·mol-1 Chemaxon Polarizability 43.29 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon