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Molecule
4,6-O-Ethylidene-Α-D-Glucopyranose
CAS: 13224-99-2 · C8H14O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13224-99-2
- Molecular Formula
- C8H14O6
- Molecular Mass
- 206.19 g/mol
Identifiers
CAS Registry Number
13224-99-2
SMILES
CC1OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O1
InChI Key
VZPBLPQAMPVTFO-NKWOADHPSA-N
InChI
InChI=1S/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3/t3?,4-,5-,6-,7-,8+/m1/s1
Names and Synonyms
- 4,6-O-Ethylidene-Α-D-Glucopyranose Systematic Name
- α-D-Glucopyranose, 4,6-O-ethylidene- Synonym
- Glucopyranose, 4,6-O-ethylidene-, α-D- Synonym
- Pyrano[3,2-d]-1,3-dioxin, α-D-glucopyranose deriv. Synonym
- 4,6-O-Ethylidene-α-D-glucopyranose Synonym
- Ethylidene glucose Synonym
- 4,6-O-Ethylidene α-D-glucopyranose Synonym
- 4,6-O-Ethylidene-α-D-glucose Synonym
- NSC 89726 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.19 g/mol | CAS Common Chemistry |
| 206.194 g/mol | RDKit | |
| Canonical SMILES | OC1OC2COC(OC2C(O)C1O)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H14O6/c1-3-12-2-4-7(13-3)5(9)6(10)8(11)14-4/h3-11H,2H2,1H3/t3?,4-,5-,6-,7-,8+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VZPBLPQAMPVTFO-NKWOADHPSA-N | CAS Common Chemistry |
| Melting Point | 179-182 °C | CAS Common Chemistry |
| Name | 4,6-O-Ethylidene-α-D-glucopyranose | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 88.38000000000001 Ų | RDKit |
| 88.38 Ų | RDKit | |
| LogP | -1.8132 | RDKit |
| Molar Refractivity | 43.18040000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 206.079038168 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 = 206.19 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H14O6.
