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Molecule
2,3:4,5-Di-O-Isopropylidene-Β-D-Fructopyranose
CAS: 20880-92-6 · C12H20O6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 20880-92-6
- Molecular Formula
- C12H20O6
- Molecular Mass
- 260.29 g/mol
Identifiers
CAS Registry Number
20880-92-6
SMILES
CC1(C)O[C@@H]2[C@@H](CO[C@@]3(CO)OC(C)(C)O[C@@H]23)O1
InChI Key
PSSHGMIAIUYOJF-XBWDGYHZSA-N
InChI
InChI=1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1
Names and Synonyms
- 2,3:4,5-Di-O-Isopropylidene-Β-D-Fructopyranose Synonym
- β-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)- Synonym
- Fructopyranose, 2,3:4,5-di-O-isopropylidene-, β-D- Synonym
- 5H-Bis[1,3]dioxolo[4,5-b:4′,5′-d]pyran, β-D-fructopyranose deriv. Synonym
- 2,3:4,5-Bis-O-(1-methylethylidene)-β-D-fructopyranose Synonym
- 2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose Synonym
- NSC 407023 Synonym
- D-Fructopyranose diacetonide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.29 g/mol | CAS Common Chemistry |
| 260.286 g/mol | RDKit | |
| Canonical SMILES | OCC12OCC3OC(OC3C2OC(O1)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PSSHGMIAIUYOJF-XBWDGYHZSA-N | CAS Common Chemistry |
| Melting Point | 119 °C | CAS Common Chemistry |
| Name | 2,3:4,5-Di-O-isopropylidene-β-D-fructopyranose | CAS Common Chemistry |
| Heavy Atom Count | 18 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 66.38000000000001 Ų | RDKit |
| 66.38 Ų | RDKit | |
| LogP | 0.37679999999999986 | RDKit |
| 0.3768 | RDKit | |
| Molar Refractivity | 59.63080000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 260.12598836 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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140
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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.
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MW = 260.29 g/mol. Edit any field — others recompute live.
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