Metabolite 8,11-Dihydroxy-delta-9-THC

Name
8,11-Dihydroxy-delta-9-THC
Description
Not Available
Structure
Thumb
Synonyms
Not Available
UNII
Not Available
CAS number
Not Available
Weight
Average: 346.4605
Monoisotopic: 346.214409448
Chemical Formula
C21H30O4
InChI Key
XTDYIISRNODHHT-UHFFFAOYSA-N
InChI
InChI=1S/C21H30O4/c1-4-5-6-7-13-8-18(24)20-15-10-14(12-22)17(23)11-16(15)21(2,3)25-19(20)9-13/h8-10,15-17,22-24H,4-7,11-12H2,1-3H3
IUPAC Name
9-(hydroxymethyl)-6,6-dimethyl-3-pentyl-6H,6aH,7H,8H,10aH-benzo[c]isochromene-1,8-diol
SMILES
CCCCCC1=CC(O)=C2C3C=C(CO)C(O)CC3C(C)(C)OC2=C1
Reactions
External Links
ChemSpider
4925934
Predicted Properties
PropertyValueSource
Water Solubility0.0321 mg/mLALOGPS
logP4.11ALOGPS
logP3.43ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)9.34ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area69.92 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity100.02 m3·mol-1ChemAxon
Polarizability40.43 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon