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Molecule
Fucose
CAS: 2438-80-4 · C6H12O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2438-80-4
- Molecular Formula
- C6H12O5
- Molecular Mass
- 164.16 g/mol
Identifiers
CAS Registry Number
2438-80-4
SMILES
C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O
InChI Key
PNNNRSAQSRJVSB-KCDKBNATSA-N
InChI
InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m0/s1
Names and Synonyms
- Fucose Synonym
- L-Galactose, 6-deoxy- Synonym
- Fucose, L- Synonym
- 6-Deoxy-L-galactose Synonym
- Fucose Synonym
- L-Fucose Synonym
- L-Galactomethylose Synonym
- 6-Desoxygalactose Synonym
- L-(-)-Fucose Synonym
- (-)-Fucose Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 164.16 g/mol | CAS Common Chemistry |
| 164.15699999999998 g/mol | RDKit | |
| 164.157 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Fucose | CAS Common Chemistry |
| Canonical SMILES | O=CC(O)C(O)C(O)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4+,5+,6-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PNNNRSAQSRJVSB-KCDKBNATSA-N | CAS Common Chemistry |
| Melting Point | 140 °C | CAS Common Chemistry |
| Name | Fucose | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | -2.3512000000000013 | RDKit |
| -2.3512 | RDKit | |
| Molar Refractivity | 35.7652 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 164.068473484 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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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 = 164.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H12O5.
