(2S,3S,4S,5R)-6-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R)-6-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e73b7058e1404bc9b94d7bbcd07b3c59.png "(2S,3S,4S,5R)-6-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R)-6-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
28986-84-7
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Formula:
C22H21ClN2O8
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Chemical Name:
(2S,3S,4S,5R)-6-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
SCHEMBL5908028;DTXSID40951603;CHEBI:143487;J3.572.451F;28986-84-7;7-Chloro-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl hexopyranosiduronic acid
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CAS No:
Description
(2R,3R,4R,5S)-6-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a glucosiduronic acid.
(2S,3S,4S,5R)-6-[(7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
476.9 g/mol
476.0986433 g/mol
Computed Properties
Molecular Weight:476.9
XLogP3:1.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:476.0986433
Monoisotopic Mass:476.0986433
Topological Polar Surface Area:149
Heavy Atom Count:33
Complexity:776
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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