Cellotetraitol

(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol

Also Known As: Cellotetraitol|1,4-b-D-Cellotetraitol|O-CTERD|GlyTouCan:G55147XG|G55147XG|(2S,3R,4R,5R)-4-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol|1,4-b-D-Cellotetraitol (borohydride reduced cellotetraose)|D-Glucitol, O-beta-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-O-beta-D-glucopyranosyl-(1-4)-|Hexopyranosyl-(1->4)hexopyranosyl-(1->4)hexopyranosyl-(1->3)hexitol|WURCS=2.0/2,4,3/[h2122h][a2122h-1b_1-5]/1-2-2-2/a4-b1_b4-c1_c4-d1|(2S,3R,4R,5R)-4-(((2S,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,5,6-pentaol|A-d-glucopyranosyl-(1->4)-|A-d-glucopyranosyl-(1->4)-|A-d-glucopyranosyl-(1->4)-d-glucitol|beta-D-Glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-D-glucitol

Molecular Formula	C24H44O21
Molecular Weight	668.2375 g/mol
LogP	-9.5
Topological Polar Surface Area	359.0 Ų
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	21
Rotatable Bonds	14
Exact Mass	668.2375
Monoisotopic Mass	668.2375
Heavy Atoms	45
Complexity	873.0

Chemical Identifiers

CAS Number	6339-33-9
SMILES	C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@H]([C@@H](CO)O)[C@@H]([C@H](CO)O)O)CO)CO)O)O)O)O
InChIKey	LUAHEUHBAZYUOI-ZEUIETHYSA-N