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Molecule
2-Deoxy-D-Galactose
CAS: 1949-89-9 · C6H12O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1949-89-9
- Molecular Formula
- C6H12O5
- Molecular Mass
- 164.16 g/mol
Identifiers
CAS Registry Number
1949-89-9
SMILES
O=CC[C@@H](O)[C@@H](O)[C@H](O)CO
InChI Key
VRYALKFFQXWPIH-HSUXUTPPSA-N
InChI
InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6-/m1/s1
Names and Synonyms
- 2-Deoxy-D-Galactose Systematic Name
- D-lyxo-Hexose, 2-deoxy- Synonym
- 2-Deoxy-D-lyxo-hexose Synonym
- Galactose, 2-deoxy-, D- Synonym
- 2-Deoxy-D-galactose Synonym
- 2-Deoxygalactose Synonym
- Galactose, 2-deoxy- Synonym
- 2-Deoxy-D-talose 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 | |
| Canonical SMILES | O=CCC(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H12O5/c7-2-1-4(9)6(11)5(10)3-8/h2,4-6,8-11H,1,3H2/t4-,5-,6-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VRYALKFFQXWPIH-HSUXUTPPSA-N | CAS Common Chemistry |
| Melting Point | 104-105 °C | CAS Common Chemistry |
| Name | 2-Deoxy-D-galactose | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 97.99000000000001 Ų | RDKit |
| 97.99 Ų | RDKit | |
| LogP | -2.3496 | RDKit |
| Molar Refractivity | 35.7872 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...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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.
