Xylotriose

Catalog Number	ACM47592596
CAS	47592-59-6
Structure
Synonyms	4-O-[4-O-(β-D-Xylopyranosyl)-β-D-xylopyranosyl]-D-xylose
IUPAC Name	(3R,4S,5R)-2-[(4S,5S,6R)-4,5-Dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol
Molecular Weight	414.36
Molecular Formula	C15H26O13
Canonical SMILES	C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)O)O)O)O
InChI	InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6,7+,8+,9-,10-,11-,12+,13,14,15-/m1/s1
InChI Key	JCSJTDYCNQHPRJ-QZPPXLSYSA-N
Boiling Point	767.6±60.0 °C
Melting Point	204-206 °C
Purity	98%+
Density	1.68±0.1 g/cm³
Solubility	Slightly soluble in DMSO and water
Appearance	White to off-white solid
Complexity	508
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Exact Mass	414.13734088
Heavy Atom Count	28
Isomeric SMILES	C1[C@H]([C@@H]([C@H](C(O1)OC2CO[C@@H]([C@H]([C@@H]2O)O)O[C@@H]3COC([C@@H]([C@H]3O)O)O)O)O)O
Monoisotopic Mass	414.13734088
Physical State	White to off-white powder
Storage Conditions	-20 °C
Topological Polar Surface Area	208 Ų