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Fucose
CAS: 2438-80-4 | C6H12O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2438-80-4
Molecular Formula:
C6H12O5
Molecular Mass:
164.16 g/mol
Names and Synonyms:
Fucose
L-Galactose, 6-deoxy-
Fucose, L-
6-Deoxy-L-galactose
Fucose
L-Fucose
L-Galactomethylose
6-Desoxygalactose
L-(-)-Fucose
(-)-Fucose
Identifiers:
SMILES:
C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C=O
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
Key Properties
Melting Point
140 °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 | 164.16 g/mol | CAS Common Chemistry |
| 164.15699999999998 g/mol | RDKit | |
| 164.068473484 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 |
| LogP | -2.3512000000000013 | RDKit |
| Molar Refractivity | 35.7652 | RDKit |
