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Molecule
Xylose
CAS: 58-86-6 · C5H10O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58-86-6
- Molecular Formula
- C5H10O5
- Molecular Mass
- 150.13 g/mol
Identifiers
CAS Registry Number
58-86-6
SMILES
O=C[C@H](O)[C@@H](O)[C@H](O)CO
InChI Key
PYMYPHUHKUWMLA-VPENINKCSA-N
InChI
InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
Names and Synonyms
- Xylose Common Name
- D-Xylose Synonym
- Xylose, D- Synonym
- Xylose Synonym
- (+)-Xylose Synonym
- Wood sugar Synonym
- D-(+)-Xylose Synonym
- (2R,3S,4R)-2,3,4,5-Tetrahydroxypentanal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.13 g/mol | CAS Common Chemistry |
| 150.12999999999997 g/mol | RDKit | |
| Density | 1.53 g/cm³ | CAS Common Chemistry |
| 1.525 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Xylose | CAS Common Chemistry |
| Canonical SMILES | O=CC(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PYMYPHUHKUWMLA-VPENINKCSA-N | CAS Common Chemistry |
| Melting Point | 153-154 °C | CAS Common Chemistry |
| Name | (+)-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 |
| 97.99 Ų | RDKit | |
| LogP | -2.7397000000000005 | RDKit |
| -2.7397 | RDKit | |
| Molar Refractivity | 31.170199999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 150.05282342 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 150.13 g/mol; density = 1.530 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O5.
