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Molecule
Glucosylglycerol
CAS: 22160-26-5 · C9H18O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 22160-26-5
- Molecular Formula
- C9H18O8
- Molecular Mass
- 254.23 g/mol
Identifiers
CAS Registry Number
22160-26-5
SMILES
OCC(CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI Key
AQTKXCPRNZDOJU-ZEBDFXRSSA-N
InChI
InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9+/m1/s1
Names and Synonyms
- Glucosylglycerol Common Name
- α-D-Glucopyranoside, 2-hydroxy-1-(hydroxymethyl)ethyl Synonym
- Glucopyranoside, 2-hydroxy-1-(hydroxymethyl)ethyl, α-D- Synonym
- 2-Hydroxy-1-(hydroxymethyl)ethyl α-D-glucopyranoside Synonym
- 2-O-α-D-Glucopyranosylglycerol Synonym
- Glucosylglycerol Synonym
- 2-O-α-D-Glucosylglycerol Synonym
- Glycoin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 254.23 g/mol | CAS Common Chemistry |
| 254.235 g/mol | RDKit | |
| Canonical SMILES | OCC(OC1OC(CO)C(O)C(O)C1O)CO | CAS Common Chemistry |
| InChI | InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AQTKXCPRNZDOJU-ZEBDFXRSSA-N | CAS Common Chemistry |
| Melting Point | 121 °C | CAS Common Chemistry |
| Name | Glucosylglycerol | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 8 | RDKit |
| Hydrogen Bond Donors | 6 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 139.84 Ų | RDKit |
| LogP | -3.843899999999999 | RDKit |
| -3.8439 | RDKit | |
| Molar Refractivity | 52.81180000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 254.10016753600001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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20
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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 = 254.23 g/mol. Edit any field — others recompute live.
