6-[[(4aR,12bS)-7-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![6-[[(4aR,12bS)-7-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0956fc6e8faf42778570514c61547935.png "6-[[(4aR,12bS)-7-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
6-[[(4aR,12bS)-7-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
structure -
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CAS No:
67583-64-6
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Formula:
C22H25NO9
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Chemical Name:
6-[[(4aR,12bS)-7-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
normorphine-3-glucuronide;Normorphine 3-glucuronide;67583-64-6;Normorphine-3-glucuronide;6-hydroxy-7,8-didehydro-4,5-epoxymorphinan-3-yl hexopyranosiduronic acid;DTXSID10986942;6-[[(4aR,12bS)-7-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;beta-D-Glucopyranosiduronic acid, (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-6-hydroxymorphinan-3-yl
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CAS No:
6-[[(4aR,12bS)-7-hydroxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
447.4 g/mol
447.15293138 g/mol
Computed Properties
Molecular Weight:447.4
XLogP3:-3.5
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:447.15293138
Monoisotopic Mass:447.15293138
Topological Polar Surface Area:158
Heavy Atom Count:32
Complexity:808
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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