Xylohexaose

CAS	49694-21-5
Synonyms	O-beta-D-Xylopyranosyl-(1-4)-O-beta-D-xylopyranosyl-(1-4)-O-beta-D-xylopyranosyl-(1-4)-O-beta-D-xylopyranosyl-(1-4)-O-beta-D-xylopyranosyl-(1-4)-D-xylose
IUPAC Name	(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-Dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
Molecular Weight	810.7
Molecular Formula	C30H50O25
Canonical SMILES	C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)OC4COC(C(C4O)O)OC5COC(C(C5O)O)OC6COC(C(C6O)O)O)O)O)O
InChI	InChI=1S/C30H50O25/c31-7-1-46-26(20(39)13(7)32)52-9-3-48-28(22(41)15(9)34)54-11-5-50-30(24(43)17(11)36)55-12-6-49-29(23(42)18(12)37)53-10-4-47-27(21(40)16(10)35)51-8-2-45-25(44)19(38)14(8)33/h7-44H,1-6H2/t7-,8-,9-,10-,11-,12-,13+,14+,15+,16+,17+,18+,19-,20-,21-,22-,23-,24-,25,26+,27+,28+,29+,30+/m1/s1
InChI Key	FTTUBRHJNAGMKL-HWHAXOAESA-N
Boiling Point	1142.7±65.0 °C
Melting Point	236-237 °C
Purity	95%+
Density	1.77±0.1 g/cm³
Solubility	Soluble in water
Complexity	1210
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	23
Exact Mass	810.26411708
Heavy Atom Count	55
Isomeric SMILES	C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2CO[C@H]([C@@H]([C@H]2O)O)O[C@@H]3CO[C@H]([C@@H]([C@H]3O)O)O[C@@H]4CO[C@H]([C@@H]([C@H]4O)O)O[C@@H]5CO[C@H]([C@@H]([C@H]5O)O)O[C@@H]6COC([C@@H]([C@H]6O)O)O)O)O)O
Monoisotopic Mass	810.26411708
Physical State	White to off-white powder
Storage Conditions	2-8 °C
Topological Polar Surface Area	385 Ų