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1,2:3,4-Di-O-Isopropylidene-Α-D-Galactopyranose
CAS: 4064-06-6 | C12H20O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4064-06-6
Molecular Formula:
C12H20O6
Molecular Mass:
260.29 g/mol
Names and Synonyms:
1,2:3,4-Di-O-Isopropylidene-Α-D-Galactopyranose
α-D-Galactopyranose, 1,2:3,4-bis-O-(1-methylethylidene)-
Galactopyranose, 1,2:3,4-di-O-isopropylidene-, α-D-
Galactopyranose, 1,2:3,4-di-O-isopropylidene-
5H-Bis[1,3]dioxolo[4,5-b:4′,5′-d]pyran, α-D-galactopyranose deriv.
1,2:3,4-Bis-O-(1-methylethylidene)-α-D-galactopyranose
Diisopropylidenegalactose
1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose
1,2:3,4-Di-O-isopropylidene-D-galactopyranose
1,2:3,4-Di-O-isopropylidene-D-galactose
1,2:3,4-Di-O-isopropylidene-α-D-galactose
1,2:3,4-Diisopropylidene-α-D-galactopyranose
NSC 89756
1,2:3,4-Di-O-isopropylidene-α-D-galactopyranoside
1,2:3,4-Di-O-isopropylidene-α-D-galactopyranosole
Identifiers:
SMILES:
CC1(C)O[C@H]2[C@@H](O1)[C@@H](CO)O[C@@H]1OC(C)(C)O[C@@H]12
InChI:
InChI=1S/C12H20O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10,13H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1
Key Properties
Boiling Point
110-120 °C @ Press: 0.1-0.2 Torr
CAS Common Chemistry
Melting Point
91-100 °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 | 260.29 g/mol | CAS Common Chemistry |
| 260.28599999999994 g/mol | RDKit | |
| 260.12598836 g/mol | RDKit | |
| Boiling Point | 110-120 °C @ Press: 0.1-0.2 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC1OC2OC(OC2C3OC(OC13)(C)C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H20O6/c1-11(2)15-7-6(5-13)14-10-9(8(7)16-11)17-12(3,4)18-10/h6-10,13H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=POORJMIIHXHXAV-SOYHJAILSA-N | CAS Common Chemistry |
| Melting Point | 91-100 °C | CAS Common Chemistry |
| Name | 1,2:3,4-Di-O-isopropylidene-α-D-galactopyranose | 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 |
| LogP | 0.37519999999999953 | RDKit |
| Molar Refractivity | 59.60880000000005 | RDKit |
