Catalog Number |
ACM22416586-1 |
CAS |
22416-58-6 |
Synonyms |
4-O-[4-O-[4-O-(β-D-Xylopyranosyl)-β-D-xylopyranosyl]-β-D-xylopyranosyl]-D-xylose |
IUPAC Name |
(2R,3R,4R)-4-[(2S,3R,4R,5R)-5-[(2S,3R,4R,5R)-3,4-Dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-2,3,5-trihydroxypentanal |
Molecular Weight |
546.5 |
Canonical SMILES |
C1C(C(C(C(O1)OC2COC(C(C2O)O)OC3COC(C(C3O)O)OC(CO)C(C(C=O)O)O)O)O)O |
InChI |
InChI=1S/C20H34O17/c21-1-6(23)11(25)8(2-22)35-19-16(30)13(27)10(4-33-19)37-20-17(31)14(28)9(5-34-20)36-18-15(29)12(26)7(24)3-32-18/h1,6-20,22-31H,2-5H2/t6-,7+,8+,9+,10+,11+,12-,13-,14-,15+,16+,17+,18-,19-,20-/m0/s1 |
InChI Key |
JVZHSOSUTPAVII-MESLASACSA-N |
Boiling Point |
907.1±65.0 °C |
Melting Point |
219-220 °C |
Purity |
97%+ |
Density |
1.72±0.1 g/cm³ |
Solubility |
Slightly soluble in DMSO and water |
Complexity |
714 |
Covalently-Bonded Unit Count |
1 |
Defined Atom Stereocenter Count |
15 |
Exact Mass |
546.17959961 |
Heavy Atom Count |
37 |
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](CO)[C@@H]([C@H](C=O)O)O)O)O)O |
Monoisotopic Mass |
546.17959961 |
Physical State |
White to off-white solid |
Storage Conditions |
-20 °C |
Topological Polar Surface Area |
275 Ų |
For Research Use Only. Not for use in diagnostic or therapeutic procedures.