| CAS Number | 47592-59-6 |
| Catalog Number | AG00DA5N(AGN-PC-0RVCH4) |
| Chemical Name | Xylotriose |
| IUPAC Name | (3R,4S,5R)-2-[(4S,5S,6R)-4,5-dihydroxy-6-[(3R,4R,5R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxyoxane-3,4,5-triol |
| InChI | InChI=1S/C15H26O13/c16-4-1-25-14(11(21)7(4)17)28-6-3-26-15(12(22)9(6)19)27-5-2-24-13(23)10(20)8(5)18/h4-23H,1-3H2/t4-,5-,6?,7+,8+,9-,10-,11-,12+,13?,14?,15-/m1/s1 |
| InChI Key | JCSJTDYCNQHPRJ-QZPPXLSYSA-N |
| MDL Number | MFCD00057525 |
| Molecular Formula | C15H26O13 |
| Molecular Weight | 414.3591 |
| SMILES | O[C@H]([C@H]([C@H](O)CO1)O)[C@]1([H])O[C@H]2[C@@H]([C@H]([C@H](O[C@H](CO)[C@H](O)[C@@H](O)C=O)OC2)O)O |
| Synonyms | xylotriose,
xylotriose,
47592-59-6,
1,4-B-D-XYLOTRIOSE,
(3R,4R,5R)-5-((2R,3S,4S)-3,4-dihydroxy-5-((3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2-yloxy)tetrahydro-2H-pyran-2,3,4-triol,
D-Xylose, O-.beta.-D-xylopyranosyl-(1?4)-O-.beta.-D-xylopyranosyl-(1?4)-,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 414.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 414.36g/mol |
| Monoisotopic Mass | 414.137g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 208A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -5.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number