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Molecule
Miglitol
CAS: 72432-03-2 · C8H17NO5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 72432-03-2
- Molecular Formula
- C8H17NO5
- Molecular Mass
- 207.23 g/mol
Identifiers
CAS Registry Number
72432-03-2
SMILES
OCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
InChI Key
IBAQFPQHRJAVAV-ULAWRXDQSA-N
InChI
InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1
Names and Synonyms
- Miglitol Synonym
- 3,4,5-Piperidinetriol, 1-(2-hydroxyethyl)-2-(hydroxymethyl)-, (2R,3R,4R,5S)- Synonym
- 3,4,5-Piperidinetriol, 1-(2-hydroxyethyl)-2-(hydroxymethyl)-, [2R-(2α,3β,4α,5β)]- Synonym
- (2R,3R,4R,5S)-1-(2-Hydroxyethyl)-2-(hydroxymethyl)-3,4,5-piperidinetriol Synonym
- BAY-m 1099 Synonym
- Miglitol Synonym
- N-(2-Hydroxyethyl)moranoline Synonym
- BAY 1099 Synonym
- N-(2-Hydroxyethyl)-1-deoxynojirimycin Synonym
- Glyset Synonym
- Diastabol Synonym
- Seibule Synonym
- (2R,3R,4R,5S)-1-(2-Hydroxyethyl)-2-(hydroxymethyl)piperidine-3,4,5-triol Synonym
- Plumarol Synonym
- N-(2-Hydroethyl)deoxynojirimycin Synonym
- Miglitose Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 207.23 g/mol | CAS Common Chemistry |
| 207.226 g/mol | RDKit | |
| Canonical SMILES | OCCN1CC(O)C(O)C(O)C1CO | CAS Common Chemistry |
| InChI | InChI=1S/C8H17NO5/c10-2-1-9-3-6(12)8(14)7(13)5(9)4-11/h5-8,10-14H,1-4H2/t5-,6+,7-,8-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=IBAQFPQHRJAVAV-ULAWRXDQSA-N | CAS Common Chemistry |
| Melting Point | 114 °C | CAS Common Chemistry |
| Name | Miglitol | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 5 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 104.39000000000001 Ų | RDKit |
| 104.39 Ų | RDKit | |
| 104.16 Ų | chempirical lib | |
| LogP | -3.262099999999999 | RDKit |
| -3.2621 | RDKit | |
| Molar Refractivity | 47.553000000000026 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 207.110672644 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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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 = 207.23 g/mol. Edit any field — others recompute live.
