6-[4,5-bis(hydroxymethyl)-2-sulfooxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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![6-[4,5-bis(hydroxymethyl)-2-sulfooxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/914b639abb9c4b9685582fbd4364fabe.png "6-[4,5-bis(hydroxymethyl)-2-sulfooxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid")
6-[4,5-bis(hydroxymethyl)-2-sulfooxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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CAS No:
94619-52-0
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Formula:
C12H20O14S
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Chemical Name:
6-[4,5-bis(hydroxymethyl)-2-sulfooxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
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Synonyms:
IdoA-anT4S;O-(alpha-idopyranosyluronic acid)-(1-3)-2,5-anhydroalditol-4-sulfate;Idoa-ant4S;94619-52-0;O-(alpha-Idopyranosyluronic acid)-(1-3)-2,5-anhydroalditol-4-sulfate;DTXSID10915393;6-[4,5-bis(hydroxymethyl)-2-sulfooxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;3-Deoxy-2-O-hexopyranuronosyl-3-(hydroxymethyl)-1-O-sulfopentofuranose;D-Altritol, 2,5-anhydro-4-O-alpha-L-idopyranuronosyl-, (2S-(2alpha,5alpha,6beta(S*)))-
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CAS No:
6-[4,5-bis(hydroxymethyl)-2-sulfooxyoxolan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid Basic Attributes
420.35 g/mol
420.05737648 g/mol
Computed Properties
Molecular Weight:420.35
XLogP3:-4.1
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:420.05737648
Monoisotopic Mass:420.05737648
Topological Polar Surface Area:238
Heavy Atom Count:27
Complexity:618
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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