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Α-D-Xylopyranose
CAS: 6763-34-4 | C5H10O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6763-34-4
Molecular Formula:
C5H10O5
Molecular Weight:
150.13 g/mol
Names and Synonyms:
Α-D-Xylopyranose
α-D-Xylopyranose
Xylopyranose, α-D-
Holzzucker
Losan
α-D-Xylose
α-Xylose
Identifiers:
SMILES:
O[C@@H]1[C@@H](O)[C@@H](O)OC[C@H]1O
InChI:
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 150.13 g/mol | Legacy Database |
| density | 1.03 g/cm³ | Legacy Database |
| cas-canonical-smile | OC1OCC(O)C(O)C1O None | Legacy Database |
| cas-density | 1.0348952 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=SRBFZHDQGSBBOR-LECHCGJUSA-N None | Legacy Database |
| cas-melting-point | 146-147 °C None | Legacy Database |
| cas-name | α-D-Xylopyranose None | Legacy Database |
| LogP | -2.5823000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 150.13 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 150.05282342 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 4 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 90.15 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.97919999999999 | RDKit |
