Cellobial

(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Also Known As: Cellobial|D-CELLOBIAL|(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol|1,5-Anhydro-2-deoxy-4-(O-b-D-glucopyranosyl)-D-arabino-hex-1-enitol|1,5-anhydro-2-deoxy-4-O-beta-D-glucopyranosyl-D-arabino-hex-1-enitol|D-arabino-Hex-1-enitol, 1,5-anhydro-2-deoxy-4-O-beta-D-glucopyranosyl-|1,2-Dideoxy-4-O-beta-D-glucopyranosyl-D-arabino-hex-1-enopyranose|(2S,3R,4S,5S,6R)-2-(((2R,3S,4R)-4-Hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol|(2S,3R,4S,5S,6R)-2-[[(2R,3S,4R)-4-hydroxy-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3-yl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol

Molecular Formula	C12H20O9
Molecular Weight	308.11072 g/mol
LogP	-3.5628
Topological Polar Surface Area	149.07 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	308.11072
Monoisotopic Mass	308.11072
Heavy Atoms	21
Complexity	360.63727

Chemical Identifiers

CAS Number	5346-85-0
SMILES	C1=CO[C@@H]([C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CO