Thiocellobiose

(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexanal

Also Known As: Thiocellobiose|?THIOCELLOBIOSE|4-S-Hexopyranosyl-4-thiohexose|D-Glucose, 4-S-beta-D-glucopyranosyl-4-thio-|Thiocellobiose, >=98.0% (TLC)|4-S-|A-D-glucopyranosyl-4-thio-D-glucose|4-S-beta-D-Glucopyranosyl-4-thio-D-glucose|(2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylhexanal|4-(beta-D-Glucopyranosylthio)-4-deoxy-D-glucose|(2R,3R,4R,5R)-2,3,5,6-Tetrahydroxy-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)hexanal|(2R,3R,4R,5R)-2,3,5,6-TETRAHYDROXY-4-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]SULFANYL}HEXANAL

Molecular Formula	C12H22O10S
Molecular Weight	358.09335 g/mol
LogP	-4.2
Topological Polar Surface Area	213.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	358.09335
Monoisotopic Mass	358.09335
Heavy Atoms	23
Complexity	372.0

Chemical Identifiers

CAS Number	80951-92-4
SMILES	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S[C@H]([C@@H](CO)O)[C@@H]([C@H](C=O)O)O)O)O)O)O
InChIKey	VMEDEPBFFWJMMG-WELRSGGNSA-N