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Molecule
6-O-Α-D-Glucopyranosyl-Α-D-Fructofuranose
CAS: 58166-27-1 · C12H22O11
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58166-27-1
- Molecular Formula
- C12H22O11
- Molecular Mass
- 342.30 g/mol
Identifiers
CAS Registry Number
58166-27-1
SMILES
OC[C@H]1O[C@H](OC[C@H]2O[C@@](O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChI Key
PVXPPJIGRGXGCY-DJHAAKORSA-N
InChI
InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12+/m1/s1
Names and Synonyms
- 6-O-Α-D-Glucopyranosyl-Α-D-Fructofuranose Systematic Name
- α-D-Fructofuranose, 6-O-α-D-glucopyranosyl- Synonym
- 6-O-α-D-Glucopyranosyl-α-D-fructofuranose Synonym
- α-Palatinose Synonym
- α-Isomaltulose Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 342.30 g/mol | CAS Common Chemistry |
| 342.297 g/mol | RDKit | |
| Canonical SMILES | OCC1OC(OCC2OC(O)(CO)C(O)C2O)C(O)C(O)C1O | CAS Common Chemistry |
| InChI | InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PVXPPJIGRGXGCY-DJHAAKORSA-N | CAS Common Chemistry |
| Name | 6-O-α-D-Glucopyranosyl-α-D-fructofuranose | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 11 | RDKit |
| Hydrogen Bond Donors | 8 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 189.52999999999997 Ų | RDKit |
| 189.53 Ų | RDKit | |
| LogP | -5.395599999999993 | RDKit |
| -5.3956 | RDKit | |
| Molar Refractivity | 68.64140000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 342.11621152399994 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 = 342.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H22O11.
