Dihydromorphine-6-Beta-D-glucuronide

(2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Also Known As: dihydromorphine-6-glucuronide|Dihydromorphine-3-glucuronide|Dihydromorphine-6-Beta-D-glucuronide|7,8-Dihydromorphine-6-glucuronide|Dihydromorphine 6-O-b-D-Glucuronide|J1.274.871J|Dihydromorphine-6-Beta-D-glucuronide, 1mg/ml in Acetonitrile/Water : 1/1|3-Hydroxy-17-methyl-4,5alpha-epoxymorphinan-6alpha-yl beta-D-glucopyranosiduronic acid|3-Hydroxy-17-methyl-5alpha-4,5-epoxymorphinan-6alpha-yl beta-D-glucopyranosiduronic acid|6alpha-(beta-D-Glucopyranuronosyloxy)-17-methyl-4,5alpha-epoxymorphinan-3-ol|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,5R,13R,14S,17R)-10-hydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yl]oxy}oxane-2-carboxylic acid|?-D-Glucopyranosiduronic acid, (5?,6?)-4,5-epoxy-3-hydroxy-17-methylmorphinan-6-yl (9CI, ACI); (5?,6?)-4,5-Epoxy-3-hydroxy-17-methylmorphinan-6-yl ?-D-glucopyranosiduronic acid (ACI); Dihydromorphine 6-glucuronide; ?-Dihydromorphine 6-glucuronide; Dihydromorphine-6-ss-D-glucuronide

Molecular Formula	C23H29NO9
Molecular Weight	463.18423 g/mol
LogP	-0.6614
Topological Polar Surface Area	149.15 Ų
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	9
Rotatable Bonds	3
Exact Mass	463.18423
Monoisotopic Mass	463.18423
Heavy Atoms	33
Complexity	986.9239

Chemical Identifiers

CAS Number	70001-26-2
SMILES	CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O