Metabolite Tapentadol glucuronide
- Name
- Tapentadol glucuronide
- Description
- Not Available
- Structure
Structure for Tapentadol glucuronide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 397.468
Monoisotopic: 397.210052342 - Chemical Formula
- C20H31NO7
- InChI Key
- CTYJDHSTNLOUMT-XKVPVBGDSA-N
- InChI
- InChI=1S/C20H31NO7/c1-5-14(11(2)10-21(3)4)12-7-6-8-13(9-12)27-20-17(24)15(22)16(23)18(28-20)19(25)26/h6-9,11,14-18,20,22-24H,5,10H2,1-4H3,(H,25,26)/t11-,14+,15-,16-,17+,18-,20?/m0/s1
- IUPAC Name
- (2S,3S,4S,5R)-6-{3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenoxy}-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=C1
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source logP -1.2 Chemaxon pKa (Strongest Acidic) 2.99 Chemaxon pKa (Strongest Basic) 9.81 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 119.69 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 101.57 m3·mol-1 Chemaxon Polarizability 41.86 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