TL;DR: beta-D-xylotetraose (CAS 139307-11-2) is a chemical compound with molecular formula C20H34O17 and molecular weight 546.1796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxyoxane-3,4,5-triol
Also Known As: beta-D-xylotetraose, (1,4)-beta-xylotetraose, GlyTouCan:G60650FG, G60650FG, XYP-(1-4)XYP-(1-4)XYP-(1-4)XYP
| Molecular Formula | C20H34O17 |
| Molecular Weight | 546.1796 g/mol |
| XLogP | -7.1 |
| Topological Polar Surface Area (TPSA) | 267.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.1796 Da |
| Heavy Atoms | 37 |
| Complexity | 731.0 |
| 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)O)O)O |
| InChIKey | KPTPSLHFVHXOBZ-SVRBUABSSA-N |
The XLogP value of -7.1 indicates that beta-D-xylotetraose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 267.0 Ų indicates high polarity, suggesting beta-D-xylotetraose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-xylotetraose has 10 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of beta-D-xylotetraose is 139307-11-2.
The molecular formula of beta-D-xylotetraose is C20H34O17.
The molecular weight of beta-D-xylotetraose is 546.1796 g/mol.
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