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Molecule
Glucamine
CAS: 488-43-7 · C6H15NO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 488-43-7
- Molecular Formula
- C6H15NO5
- Molecular Mass
- 181.19 g/mol
Identifiers
CAS Registry Number
488-43-7
SMILES
NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChI Key
SDOFMBGMRVAJNF-SLPGGIOYSA-N
InChI
InChI=1S/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4+,5+,6+/m0/s1
Names and Synonyms
- Glucamine Synonym
- D-Glucitol, 1-amino-1-deoxy- Synonym
- Glucitol, 1-amino-1-deoxy-, D- Synonym
- Glucitol, 1-amino-1-deoxy- Synonym
- Sorbitol, 1-amino-1-deoxy- Synonym
- 1-Amino-1-deoxy-D-glucitol Synonym
- Glucamine Synonym
- D-Glucamine Synonym
- 1-Amino-1-deoxysorbitol Synonym
- 1-Amino-1-deoxyglucitol Synonym
- 1-Deoxy-1-amino-D-sorbitol Synonym
- 1-Amino-1-deoxy-D-sorbitol Synonym
- (2R,3R,4R,5S)-6-Aminohexane-1,2,3,4,5-pentol Synonym
- 1-Deoxy-1-amino-D-glucitol Synonym
- (2R,3R,4R,5S)-6-Aminohexane-1,2,3,4,5-pentol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 181.19 g/mol | CAS Common Chemistry |
| 181.188 g/mol | RDKit | |
| Canonical SMILES | OCC(O)C(O)C(O)C(O)CN | CAS Common Chemistry |
| InChI | InChI=1S/C6H15NO5/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,8-12H,1-2,7H2/t3-,4+,5+,6+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=SDOFMBGMRVAJNF-SLPGGIOYSA-N | CAS Common Chemistry |
| Melting Point | 127 °C | CAS Common Chemistry |
| Name | Glucamine | 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 | 127.17000000000002 Ų | RDKit |
| 127.17 Ų | RDKit | |
| LogP | -3.619 | RDKit |
| Molar Refractivity | 40.167400000000015 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 181.09502258 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 = 181.19 g/mol. Edit any field — others recompute live.
