Metabolite Chloramphenicol Aryl Amine
- Name
- Chloramphenicol Aryl Amine
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 182.223
Monoisotopic: 182.105527699 - Chemical Formula
- C9H14N2O2
- InChI Key
- HOSHJSFGXZIFCZ-RKDXNWHRSA-N
- InChI
- InChI=1S/C9H14N2O2/c10-7-3-1-6(2-4-7)9(13)8(11)5-12/h1-4,8-9,12-13H,5,10-11H2/t8-,9-/m1/s1
- IUPAC Name
- (1R,2R)-2-amino-1-(4-aminophenyl)propane-1,3-diol
- SMILES
- N[C@H](CO)[C@H](O)C1=CC=C(N)C=C1
- 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 145.49854 predictedDeepCCS 1.0 (2019) [M+H]+ 147.8941 predictedDeepCCS 1.0 (2019) [M+Na]+ 153.80663 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 62913350
- ZINC
- ZINC000006079887
- Predicted Properties
Property Value Source Water Solubility 13.7 mg/mL ALOGPS logP -1.1 ALOGPS logP -0.99 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 13.88 Chemaxon pKa (Strongest Basic) 8.89 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 92.5 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 51.16 m3·mol-1 Chemaxon Polarizability 19.46 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