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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
Names and Synonyms:
4,6-O-Ethylidene-Α-D-Glucopyranose
α-D-Glucopyranose, 4,6-O-ethylidene-
Glucopyranose, 4,6-O-ethylidene-, α-D-
Pyrano[3,2-d]-1,3-dioxin, α-D-glucopyranose deriv.
4,6-O-Ethylidene-α-D-glucopyranose
Ethylidene glucose
4,6-O-Ethylidene α-D-glucopyranose
4,6-O-Ethylidene-α-D-glucose
NSC 89726
Identifiers:
SMILES:
CC1OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O1
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
Key Properties
Melting Point
179-182 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.19 g/mol | CAS Common Chemistry |
| 206.194 g/mol | RDKit | |
| 206.079038168 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 |
| LogP | -1.8132 | RDKit |
| Molar Refractivity | 43.18040000000002 | RDKit |
