Metabolite 5-Hydroxy-lenalidomide
- Name
- 5-Hydroxy-lenalidomide
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- LB9TF67ZH6
- CAS number
- Not Available
- Weight
- Average: 275.264
Monoisotopic: 275.090605911 - Chemical Formula
- C13H13N3O4
- InChI Key
- XHIRLGUOUTXTHY-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H13N3O4/c14-11-7-5-16(8-2-4-10(18)15-12(8)19)13(20)6(7)1-3-9(11)17/h1,3,8,17H,2,4-5,14H2,(H,15,18,19)
- IUPAC Name
- 3-(4-amino-5-hydroxy-1-oxo-2,3-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
- SMILES
- NC1=C(O)C=CC2=C1CN(C1CCC(=O)NC1=O)C2=O
- Reactions
- Lenalidomide 5-Hydroxy-lenalidomide
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 163.64674 predictedDeepCCS 1.0 (2019) [M+H]+ 166.00475 predictedDeepCCS 1.0 (2019) [M+Na]+ 172.09789 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 64866984
- Predicted Properties
Property Value Source logP -1 Chemaxon pKa (Strongest Acidic) 9.16 Chemaxon pKa (Strongest Basic) 2.46 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 112.73 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 70.28 m3·mol-1 Chemaxon Polarizability 26.45 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