3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid
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![3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d02d21dde1f4476c988466d395909286.png "3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid")
3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid
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CAS No:
102304-70-1
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Formula:
C12H20O17S2
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Chemical Name:
3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid
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Synonyms:
GSTS;O-(glucuronic acid 2-sulfate)-(1--3)-O-(2,5)-andydrotalitol 6-sulfate;102304-70-1;GSTS;DTXSID30907351;O-(glucuronic acid 2-sulfate)-(1--3)-O-(2,5)-andydrotalitol 6-sulfate;2,5-Anhydro-4-O-(2-O-sulfo-beta-D-glucopyranuronosyl)-D-altritol 1-(hydrogen sulfate);3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid;2,5-Anhydro-1-O-sulfo-4-O-(2-O-sulfohexopyranuronosyl)hexitol;D-Altritol, 2,5-anhydro-4-O-(2-O-sulfo-beta-D-glucopyranuronosyl)-, 1-(hydrogen sulfate);D-Altritol, 2,5-anhydro-4-O-(2-O-sulfo-beta-D-glucopyranuronosyl)-, 1-(hydrogensulfate)
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CAS No:
3,4-dihydroxy-6-[4-hydroxy-2-(hydroxymethyl)-5-(sulfooxymethyl)oxolan-3-yl]oxy-5-sulfooxyoxane-2-carboxylic acid Basic Attributes
500.4 g/mol
500.01419151 g/mol
Computed Properties
Molecular Weight:500.4
XLogP3:-4.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:9
Exact Mass:500.01419151
Monoisotopic Mass:500.01419151
Topological Polar Surface Area:290
Heavy Atom Count:31
Complexity:830
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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