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Galactitol
CAS: 608-66-2 | C6H14O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
608-66-2
Molecular Formula:
C6H14O6
Molecular Mass:
182.17 g/mol
Names and Synonyms:
Galactitol
Galactitol
Dulcite
Dulcitol
Dulcose
Euonymit
Melampyrin
Melampyrit
NSC 1944
Identifiers:
SMILES:
OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
InChI:
InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
Key Properties
Melting Point
189.5 °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 | 182.17 g/mol | CAS Common Chemistry |
| 182.172 g/mol | RDKit | |
| 182.079038168 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 |
| LogP | -3.5854000000000004 | RDKit |
| Molar Refractivity | 38.198800000000006 | RDKit |
