(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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![(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/336a49213f8349b8967310f0eb04fa24.png "(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol")
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
structure -
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CAS No:
106848-83-3
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Formula:
C13H21NO10S
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Chemical Name:
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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Synonyms:
lactose isothiocyanate;lactosyl isothiocyanate;LITC;Lactosyl isothiocyanate;106848-83-3;LITC;(2S,3R,4S,5R,6R)-2-(((2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatotetrahydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol;Lactose isothiocyanate;DTXSID00910135;(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;4-O-Hexopyranosyl-N-(sulfanylidenemethylidene)hexopyranosylamine;D-Glucopyranosyl isothiocyanate, 4-O-beta-D-galactopyranosyl-
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CAS No:
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-isothiocyanatooxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol Basic Attributes
383.37 g/mol
383.08861704 g/mol
Computed Properties
Molecular Weight:383.37
XLogP3:-2.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:383.08861704
Monoisotopic Mass:383.08861704
Topological Polar Surface Area:214
Heavy Atom Count:25
Complexity:491
Defined Atom Stereocenter Count:9
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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