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Molecule
Glucosamine Hydrochloride
CAS: 66-84-2 · C6H14ClNO5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 66-84-2
- Molecular Formula
- C6H14ClNO5
- Molecular Mass
- 215.63 g/mol
Identifiers
CAS Registry Number
66-84-2
SMILES
Cl.N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI Key
CBOJBBMQJBVCMW-BTVCFUMJSA-N
InChI
InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4+,5+,6+;/m0./s1
Names and Synonyms
- Glucosamine Hydrochloride Synonym
- D-Glucose, 2-amino-2-deoxy-, hydrochloride (1:1) Synonym
- D-Glucose, 2-amino-2-deoxy-, hydrochloride Synonym
- Glucosamine hydrochloride Synonym
- D-Glucosamine hydrochloride Synonym
- D-(+)-Glucosamine hydrochloride Synonym
- 2-Amino-2-deoxy-D-glucose hydrochloride Synonym
- Chitosamine hydrochloride Synonym
- Cosamin Synonym
- 2-Deoxy-2-amino-D-glucose hydrochloride Synonym
- D-Glucosamine chloride Synonym
- NSC 234443 Synonym
- NSC 758 Synonym
- Koyo Glucosamine MG Synonym
- Glucosamine FM Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.63 g/mol | CAS Common Chemistry |
| 215.63299999999998 g/mol | RDKit | |
| 215.633 g/mol | RDKit | |
| Canonical SMILES | Cl.O=CC(N)C(O)C(O)C(O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C6H13NO5.ClH/c7-3(1-8)5(11)6(12)4(10)2-9;/h1,3-6,9-12H,2,7H2;1H/t3-,4+,5+,6+;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CBOJBBMQJBVCMW-BTVCFUMJSA-N | CAS Common Chemistry |
| Melting Point | 217.857 °C | CAS Common Chemistry |
| Name | Glucosamine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 124.01000000000002 Ų | RDKit |
| 124.01 Ų | RDKit | |
| LogP | -2.9906 | RDKit |
| Molar Refractivity | 46.39360000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 215.056050228 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 |
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200 ppm
180
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140
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20
0 ppm
| 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 = 215.63 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H14ClNO5.
