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Molecule
Xylobiose
CAS: 6860-47-5 · C10H18O9
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 6860-47-5
- Molecular Formula
- C10H18O9
- Molecular Mass
- 282.25 g/mol
Identifiers
CAS Registry Number
6860-47-5
SMILES
O=C[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChI Key
SQNRKWHRVIAKLP-RSZZQXBVSA-N
InChI
InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1
Names and Synonyms
- Xylobiose Common Name
- D-Xylose, 4-O-β-D-xylopyranosyl- Synonym
- Xylobiose Synonym
- 4-O-β-D-Xylopyranosyl-D-xylose Synonym
- 1,4-β-Xylobiose Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | 186-187 °C | CAS Common Chemistry |
| Name | Xylobiose | CAS Common Chemistry |
| InChI Key | InChIKey=SQNRKWHRVIAKLP-RSZZQXBVSA-N | CAS Common Chemistry |
| Molecular Mass | 282.25 g/mol | CAS Common Chemistry |
| 282.245 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Xylobiose | CAS Common Chemistry |
| Canonical SMILES | O=CC(O)C(O)C(OC1OCC(O)C(O)C1O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C10H18O9/c11-1-4(13)7(15)6(2-12)19-10-9(17)8(16)5(14)3-18-10/h1,4-10,12-17H,2-3H2/t4-,5+,6+,7+,8-,9+,10-/m0/s1 | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 9 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 156.91 Ų | RDKit |
| LogP | -4.276399999999995 | RDKit |
| -4.2764 | RDKit | |
| Molar Refractivity | 57.79680000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 282.095082156 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 282.25 g/mol. Edit any field — others recompute live.
