Metabolite cis, trans-5'-OH-thalidomide
- Name
- cis, trans-5'-OH-thalidomide
- Description
- Not Available
- Structure
Structure for cis, trans-5'-OH-thalidomide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 274.232
Monoisotopic: 274.05897143 - Chemical Formula
- C13H10N2O5
- InChI Key
- HHTOWVWIVBSOKC-IENPIDJESA-N
- InChI
- InChI=1S/C13H10N2O5/c16-9-5-8(10(17)14-11(9)18)15-12(19)6-3-1-2-4-7(6)13(15)20/h1-4,8-9,16H,5H2,(H,14,17,18)/t8-,9?/m0/s1
- IUPAC Name
- 2-[(3S)-5-hydroxy-2,6-dioxopiperidin-3-yl]-2,3-dihydro-1H-isoindole-1,3-dione
- SMILES
- [H]N1C(=O)C([H])(O)C([H])([H])[C@]([H])(N2C(=O)C3=C([H])C([H])=C([H])C([H])=C3C2=O)C1=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 6.51 mg/mL ALOGPS logP -0.18 ALOGPS logP -0.93 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 11.21 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 103.78 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 65.77 m3·mol-1 Chemaxon Polarizability 25.19 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon