Metabolite 11-nor-9-carboxy-delta-9-THC-glucuronide
- Name
- 11-nor-9-carboxy-delta-9-THC-glucuronide
- Description
- Not Available
- Structure
Structure for 11-nor-9-carboxy-delta-9-THC-glucuronide
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 520.575
Monoisotopic: 520.230847359 - Chemical Formula
- C27H36O10
- InChI Key
- UWXZAZRSQQLWKH-NDNDJFMYSA-N
- InChI
- InChI=1S/C27H36O10/c1-4-5-6-7-13-10-17(28)19-15-12-14(8-9-16(15)27(2,3)37-18(19)11-13)25(34)36-26-22(31)20(29)21(30)23(35-26)24(32)33/h10-12,15-16,20-23,26,28-31H,4-9H2,1-3H3,(H,32,33)/t15?,16?,20-,21-,22+,23-,26?/m0/s1
- IUPAC Name
- (2S,3S,4S,5R)-3,4,5-trihydroxy-6-{1-hydroxy-6,6-dimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-9-carbonyloxy}oxane-2-carboxylic acid
- SMILES
- CCCCCC1=CC(O)=C2C3C=C(CCC3C(C)(C)OC2=C1)C(=O)OC1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
- Reactions
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.175 mg/mL ALOGPS logP 3.26 ALOGPS logP 3.42 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 3.29 Chemaxon pKa (Strongest Basic) -3.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 162.98 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 130.75 m3·mol-1 Chemaxon Polarizability 55.05 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon