Xylopentaose

CAS	49694-20-4
Synonyms	1,4-β-D-Xylopentaose
IUPAC Name	(2S,3R,4S,5R)-2-[(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]oxyoxane-3,4,5-triol
Molecular Weight	678.6
Molecular Formula	C25H42O21
Canonical SMILES	C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)OC4COC(C(C4O)O)OC5COC(C(C5O)O)O)O)O)O
InChI	InChI=1S/C25H42O21/c26-6-1-39-22(17(33)11(6)27)44-8-3-41-24(19(35)13(8)29)46-10-5-42-25(20(36)15(10)31)45-9-4-40-23(18(34)14(9)30)43-7-2-38-21(37)16(32)12(7)28/h6-37H,1-5H2/t6-,7-,8-,9-,10-,11+,12+,13+,14+,15+,16-,17-,18-,19-,20-,21?,22+,23+,24+,25+/m1/s1
InChI Key	LFFQNKFIEIYIKL-BLPAIIJASA-N
Boiling Point	1030.7±65.0 °C
Melting Point	240-242 °C
Purity	96%+
Density	1.75±0.1 g/cm³
Solubility	Soluble in water
Appearance	Solid
Complexity	965
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	19
Exact Mass	678.22185834
Heavy Atom Count	46
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]5COC([C@@H]([C@H]5O)O)O)O)O)O
Monoisotopic Mass	678.22185834
Physical State	White to light yellow powder
Storage Conditions	-20 °C
Topological Polar Surface Area	326 Ų