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Xylobiose
CAS: 6860-47-5 | C10H18O9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6860-47-5
Molecular Formula:
C10H18O9
Molecular Mass:
282.25 g/mol
Names and Synonyms:
Xylobiose
D-Xylose, 4-O-β-D-xylopyranosyl-
Xylobiose
4-O-β-D-Xylopyranosyl-D-xylose
1,4-β-Xylobiose
Identifiers:
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:
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
Key Properties
Melting Point
186-187 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.25 g/mol | CAS Common Chemistry |
| 282.245 g/mol | RDKit | |
| 282.095082156 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 |
| InChI Key | InChIKey=SQNRKWHRVIAKLP-RSZZQXBVSA-N | CAS Common Chemistry |
| Melting Point | 186-187 °C | CAS Common Chemistry |
| Name | Xylobiose | 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 |
| Molar Refractivity | 57.79680000000005 | RDKit |
