[4-(hydroxymethyl)phenyl]methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
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![[4-(hydroxymethyl)phenyl]methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fd364b9ec5cc4d9caf78688e2ad70d50.png "[4-(hydroxymethyl)phenyl]methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid")
[4-(hydroxymethyl)phenyl]methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
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CAS No:
127531-17-3
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Formula:
C15H23NO6S2
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Chemical Name:
[4-(hydroxymethyl)phenyl]methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid
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Synonyms:
N-4-hydroxymethylbenzylglucamine dithiocarbamate;N-HBGD;N-p-hydroxymethylbenzyl-D-glucamine dithiocarbamate;sodium N-p-hydroxymethylbenzyl-D-glucamine dithiocarbamate;127531-17-3;N-Hbgd;N-4-Hydroxymethylbenzylglucamine dithiocarbamate;HBGD;N-p-Hydroxymethylbenzyl-D-glucamine dithiocarbamate;DTXSID60925907;Sodium N-p-hydroxymethylbenzyl-D-glucamine dithiocarbamate;1-Deoxy-1-[{[4-(hydroxymethyl)phenyl]methyl}(sulfanylcarbonothioyl)amino]hexitol;D-Glucitol, 1-deoxy-1-((dithiocarboxy)((4-(hydroxymethyl)phenyl)methyl)amino)-
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CAS No:
[4-(hydroxymethyl)phenyl]methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamodithioic acid Basic Attributes
377.5 g/mol
377.09667980 g/mol
Computed Properties
Molecular Weight:377.5
XLogP3:-1.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:377.09667980
Monoisotopic Mass:377.09667980
Topological Polar Surface Area:158
Heavy Atom Count:24
Complexity:381
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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