Metabolite 5-OH-thalidomide
- Name
- 5-OH-thalidomide
- Description
- Not Available
- Structure
Structure for 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
- LJBQRRQTZUJWRC-VIFPVBQESA-N
- InChI
- InChI=1S/C13H10N2O5/c16-6-1-2-7-8(5-6)13(20)15(12(7)19)9-3-4-10(17)14-11(9)18/h1-2,5,9,16H,3-4H2,(H,14,17,18)/t9-/m0/s1
- IUPAC Name
- 2-[(3S)-2,6-dioxopiperidin-3-yl]-5-hydroxy-2,3-dihydro-1H-isoindole-1,3-dione
- SMILES
- [H]N1C(=O)C([H])([H])C([H])([H])[C@]([H])(N2C(=O)C3=C([H])C([H])=C(O)C([H])=C3C2=O)C1=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- ChemSpider
- 24625511
- ChEMBL
- CHEMBL560448
- PDBe Ligand
- F4U
- Predicted Properties
Property Value Source Water Solubility 2.99 mg/mL ALOGPS logP 0.34 ALOGPS logP -0.29 Chemaxon logS -2 ALOGPS pKa (Strongest Acidic) 7.76 Chemaxon pKa (Strongest Basic) -6.4 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 66.31 m3·mol-1 Chemaxon Polarizability 25.47 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon