Normorphine-6-glucuronide

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

Also Known As: Normorphine-6-glucuronide|Normorphine 6-glucuronide|Normorphine 6-O-b-D-Glucuronide|Normorphine 6-O-|A-D-Glucuronide|Morphinan, beta-D-glucopyranosiduronic acid deriv.|(2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|3-Hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl hexopyranosiduronic acid|beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-hydroxymorphinan-6-yl|6alpha-(beta-D-Glucopyranuronosyloxy)-4,5alpha-epoxy-7,8-didehydromorphinan-3-ol|7,8-Didehydro-4,5alpha-epoxy-3-hydroxymorphinan-6alpha-yl beta-D-glucopyranosiduronic acid|(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,5R,13R,14S,17R)-10-hydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18),15-tetraen-14-yl]oxy}oxane-2-carboxylic acid|(2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid|3-Hydroxy-5alpha-7,8-didehydro-4,5-epoxymorphinan-6alpha-yl beta-D-glucopyranosiduronic acid

Molecular Formula	C22H25NO9
Molecular Weight	447.15292 g/mol
LogP	-1.2276
Topological Polar Surface Area	157.94 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	3
Exact Mass	447.15292
Monoisotopic Mass	447.15292
Heavy Atoms	32
Complexity	997.85876

Chemical Identifiers

CAS Number	65060-95-9
SMILES	C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O