(2S)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
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![(2S)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/43e55cae604c47b29c482c5c0a7ad324.png "(2S)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid")
(2S)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
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CAS No:
133084-09-0
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Formula:
C17H22O9
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Chemical Name:
(2S)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
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Synonyms:
17-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid 5-beta-D-glucoside;aceratioside;Aceratioside;133084-09-0;2-Naphthalenecarboxylic acid, 5-(beta-D-glucopyranosyloxy)-1,2,3,4-tetrahydro-7-hydroxy-, (S)-;CHEMBL465311;DTXSID40927929;17-Hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid 5-beta-D-glucoside;(2S)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;5-(Hexopyranosyloxy)-7-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
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CAS No:
(2S)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid Basic Attributes
370.4 g/mol
370.12638228 g/mol
Computed Properties
Molecular Weight:370.4
XLogP3:-0.4
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:4
Exact Mass:370.12638228
Monoisotopic Mass:370.12638228
Topological Polar Surface Area:157
Heavy Atom Count:26
Complexity:501
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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