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Β-D-Glucopyranose, 4-O-(2,3,4,6-Tetra-O-Acetyl-Α-D-Glucopyranosyl)-, 1,2,3,6-Tetraacetate
CAS: 22352-19-8 | C28H38O19
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
22352-19-8
Molecular Formula:
C28H38O19
Molecular Mass:
678.59 g/mol
Names and Synonyms:
Β-D-Glucopyranose, 4-O-(2,3,4,6-Tetra-O-Acetyl-Α-D-Glucopyranosyl)-, 1,2,3,6-Tetraacetate
β-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-, 1,2,3,6-tetraacetate
Maltose, octaacetate, β-
β-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-, tetraacetate
β-Maltose octaacetate
Octaacetyl-β-maltose
β-D-Maltopyranose octaacetate
Octa-O-acetyl-β-D-maltose
NSC 1351
Octa-O-acetyl-β-maltose
β-D-Maltose octaacetate
β-Maltose peracetate
Identifiers:
SMILES:
CC(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChI:
InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1
Key Properties
Boiling Point
0.200-5 °C @ Press: 1 x 10-4 Torr
CAS Common Chemistry
Melting Point
159-160 °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 | 678.59 g/mol | CAS Common Chemistry |
| 678.5930000000004 g/mol | RDKit | |
| 678.2007289960001 g/mol | RDKit | |
| Boiling Point | 0.200-5 °C @ Press: 1 x 10-4 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC1OC(OC2C(OC(OC(=O)C)C(OC(=O)C)C2OC(=O)C)COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WOTQVEKSRLZRSX-QACPWNKNSA-N | CAS Common Chemistry |
| Melting Point | 159-160 °C | CAS Common Chemistry |
| Name | β-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-α-D-glucopyranosyl)-, 1,2,3,6-tetraacetate | CAS Common Chemistry |
| Heavy Atom Count | 47 | RDKit |
| Hydrogen Bond Acceptors | 19 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 238.08999999999995 Ų | RDKit |
| LogP | -0.8307999999999915 | RDKit |
| Molar Refractivity | 144.99699999999984 | RDKit |
