Metabolite Oseltamivir carboxylate
- Name
- Oseltamivir carboxylate
- Description
- Not Available
- Structure
Structure for Oseltamivir carboxylate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 284.3514
Monoisotopic: 284.173607266 - Chemical Formula
- C14H24N2O4
- InChI Key
- NENPYTRHICXVCS-YNEHKIRRSA-N
- InChI
- InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
- IUPAC Name
- (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
- SMILES
- CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 179.1438936 predictedDarkChem Lite v0.1.0 [M-H]- 173.99095 predictedDeepCCS 1.0 (2019) [M-H]- 179.1438936 predictedDarkChem Lite v0.1.0 [M-H]- 173.99095 predictedDeepCCS 1.0 (2019) [M+H]+ 179.9161936 predictedDarkChem Lite v0.1.0 [M+H]+ 176.34895 predictedDeepCCS 1.0 (2019) [M+H]+ 179.9161936 predictedDarkChem Lite v0.1.0 [M+H]+ 176.34895 predictedDeepCCS 1.0 (2019) [M+Na]+ 179.4717936 predictedDarkChem Lite v0.1.0 [M+Na]+ 183.30745 predictedDeepCCS 1.0 (2019) [M+Na]+ 179.4717936 predictedDarkChem Lite v0.1.0 [M+Na]+ 183.30745 predictedDeepCCS 1.0 (2019) - External Links
- Predicted Properties
Property Value Source Water Solubility 3.15 mg/mL ALOGPS logP -1.3 ALOGPS logP -1.8 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 4.19 Chemaxon pKa (Strongest Basic) 9.33 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 101.65 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 74.69 m3·mol-1 Chemaxon Polarizability 30.33 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