(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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![(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/acdce10809c54362948676643ec95bc0.png "(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol")
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
structure -
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CAS No:
130421-98-6
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Formula:
C19H27IO10S
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Chemical Name:
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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Synonyms:
2-iodobenzyl-1-thiocellobioside;IBTC ligand;o-iodobenzyl-1-thio-beta-cellobioside;Ibtc ligand;130421-98-6;2-Iodobenzyl-1-thiocellobioside;o-Iodobenzyl-1-thio-beta-cellobioside;DTXSID00926736;(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2-Iodophenyl)methyl 4-O-hexopyranosyl-1-thiohexopyranoside
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CAS No:
(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2-iodophenyl)methylsulfanyl]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Basic Attributes
574.4 g/mol
574.03697 g/mol
Computed Properties
Molecular Weight:574.4
XLogP3:-1.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:7
Exact Mass:574.03697
Monoisotopic Mass:574.03697
Topological Polar Surface Area:195
Heavy Atom Count:31
Complexity:562
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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