(2S,3S,4S,5R,6S)-6-[2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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![(2S,3S,4S,5R,6S)-6-[2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a9908727fc8947cc94e3aed3f3c20c88.png "(2S,3S,4S,5R,6S)-6-[2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid")
(2S,3S,4S,5R,6S)-6-[2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
structure -
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CAS No:
82576-34-9
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Formula:
C24H22ClNO10
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Chemical Name:
(2S,3S,4S,5R,6S)-6-[2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
beta-D-Glucopyranuronic acid, 1-(1-(4-chlorobenzoyl)-5-methoxy-1H-indole-3-acetate);82576-34-9;DTXSID90231886
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CAS No:
(2S,3S,4S,5R,6S)-6-[2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
519.9 g/mol
519.0932236 g/mol
DTXSID90231886
Computed Properties
Molecular Weight:519.9
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:519.0932236
Monoisotopic Mass:519.0932236
Topological Polar Surface Area:165
Heavy Atom Count:36
Complexity:821
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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