Marine Chemistry / Alfa Chemistry
Xylotetrose
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Xylotetrose

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.