methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
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![methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/e5af92d769c74e7791aa7f111f7f682a.png "methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid")
methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
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CAS No:
94161-07-6
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Formula:
C8H17NO5S2
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Chemical Name:
methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
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Synonyms:
D-N-methyl glucamine dithiocarbamate;Fe-MGD;iron N-methyl glucamine dithiocarbamate;N-methyl-D-glucamine dithiocarbamate;N-methyl-D-glucamine dithiocarbamate iron;N-methyl-N-dithiocarboxyglucamine;N-MGDC;N-Methyl-D-glucamine dithiocarbamate;UNII-7WFB66H4LB;94161-07-6;7WFB66H4LB;methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid;NOX-100;SCHEMBL7744502;CHEMBL4301787;DTXSID80240902;N-Methyl-D-glucamin dithiocarbamate;ZINC1887418;Q27268946
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CAS No:
methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid Basic Attributes
271.4 g/mol
271.05481499 g/mol
7WFB66H4LB
DTXSID80240902
Drug Information
Organic chemicals that form two or more coordination links with an iron ion. Once coordination has occurred, the complex formed is called a chelate. The iron-binding porphyrin group of hemoglobin is an example of a metal chelate found in biological systems. (See all compounds classified as Iron Chelating Agents.)
D-N-methyl glucamine dithiocarbamate
Computed Properties
Molecular Weight:271.4
XLogP3:-2.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:271.05481499
Monoisotopic Mass:271.05481499
Topological Polar Surface Area:138
Heavy Atom Count:16
Complexity:231
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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