| CAS Number | 22416-58-6 |
| Catalog Number | AG00BE7U(AGN-PC-0QYZZD) |
| Chemical Name | Xylotetrose |
| 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 |
| 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 |
| MDL Number | MFCD28064298 |
| Molecular Formula | C20H34O17 |
| Molecular Weight | 546.4738 |
| SMILES | O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](OC1)O[C@@H]([C@@H]([C@H](C=O)O)O)CO)O)O |
| Synonyms | 22416-58-6,
1,4-B-D-XYLOTETRAOSE,
xylotetraose,
D-Xylose, O-.beta.-D-xylopyranosyl-(1?4)-O-.beta.-D-xylopyranosyl-(1?4)-O-.beta.-D-xylopyranosyl-(1?4)-,
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| Complexity | 714 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 15 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 546.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 17 |
| Hydrogen Bond Donor Count | 10 |
| Isotope Atom Count | 0 |
| Molecular Weight | 546.475g/mol |
| Monoisotopic Mass | 546.18g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 275A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -7.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number