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Dl-Xylose
CAS: 25990-60-7 | C5H10O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
25990-60-7
Molecular Formula:
C5H10O5
Molecular Mass:
150.13 g/mol
Names and Synonyms:
Dl-Xylose
Xylose
DL-Xylose
dl-Xylose
(±)-Xylose
Identifiers:
SMILES:
O=C[C@H](O)[C@@H](O)[C@H](O)CO
InChI:
InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/s2
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 | 150.13 g/mol | CAS Common Chemistry |
| 150.12999999999997 g/mol | RDKit | |
| 150.05282342 g/mol | RDKit | |
| Canonical SMILES | O=CC(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/s2 | CAS Common Chemistry |
| InChI Key | InChIKey=PYMYPHUHKUWMLA-QXZWWJJYNA-N | CAS Common Chemistry |
| Name | dl-Xylose | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 97.99000000000001 Ų | RDKit |
| LogP | -2.7397000000000005 | RDKit |
| Molar Refractivity | 31.170199999999987 | RDKit |
