Metabolite 4-Hydroxy tapentadol glucuronide
- Name
- 4-Hydroxy tapentadol glucuronide
- Description
- Not Available
- Structure
Structure for 4-Hydroxy tapentadol glucuronide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 413.467
Monoisotopic: 413.204966962 - Chemical Formula
- C20H31NO8
- InChI Key
- PJLUUDTXLUVAJH-RXDSHYJBSA-N
- InChI
- InChI=1S/C20H31NO8/c1-5-14(10(2)9-21(3)4)11-6-12(22)8-13(7-11)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h6-8,10,14-18,20,22-25H,5,9H2,1-4H3,(H,26,27)/t10-,14+,15-,16-,17+,18-,20?/m0/s1
- IUPAC Name
- (2S,3S,4S,5R)-6-{3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]-5-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
- SMILES
- CC[C@H]([C@@H](C)CN(C)C)C1=CC(OC2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)=CC(O)=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP -1.5 Chemaxon pKa (Strongest Acidic) 2.8 Chemaxon pKa (Strongest Basic) 9.99 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 139.92 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 103.55 m3·mol-1 Chemaxon Polarizability 42.43 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon