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Molecule
Galactitol
CAS: 608-66-2 · C6H14O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 608-66-2
- Molecular Formula
- C6H14O6
- Molecular Mass
- 182.17 g/mol
Identifiers
CAS Registry Number
608-66-2
SMILES
OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
InChI Key
FBPFZTCFMRRESA-GUCUJZIJNA-N
InChI
InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
Names and Synonyms
- Galactitol Common Name
- Galactitol Synonym
- Dulcite Synonym
- Dulcitol Synonym
- Dulcose Synonym
- Euonymit Synonym
- Melampyrin Synonym
- Melampyrit Synonym
- NSC 1944 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.17 g/mol | CAS Common Chemistry |
| 182.172 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Galactitol | CAS Common Chemistry |
| Canonical SMILES | OCC(O)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6- | CAS Common Chemistry |
| InChI Key | InChIKey=FBPFZTCFMRRESA-GUCUJZIJNA-N | CAS Common Chemistry |
| Melting Point | 189.5 °C | CAS Common Chemistry |
| Name | Galactitol | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 121.38000000000001 Ų | RDKit |
| 121.38 Ų | RDKit | |
| LogP | -3.5854000000000004 | RDKit |
| -3.5854 | RDKit | |
| Molar Refractivity | 38.198800000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 182.079038168 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 = 182.17 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14O6.
