1,3,4,6-Tetra-O-acetyl-2-deoxy-2-phthalimido-beta-D-glucopyranose
CAS No.:
10022-13-6
M. Wt:
477.418
M. Fa:
C22H23NO11
InChI Key:
DUXJAHFLYZUOPT-ACMVSEJYSA-N
Appearance:
White Solid
Names and Identifiers of 10022-13-6
CAS Number |
10022-13-6 |
|---|---|
IUPAC Name |
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-(1,3-dioxoisoindol-2-yl)oxan-2-yl]methyl acetate |
InChI |
InChI=1S/C22H23NO11/c1-10(24)30-9-16-18(31-11(2)25)19(32-12(3)26)17(22(34-16)33-13(4)27)23-20(28)14-7-5-6-8-15(14)21(23)29/h5-8,16-19,22H,9H2,1-4H3/t16-,17-,18-,19-,22-/m1/s1 |
InChIKey |
DUXJAHFLYZUOPT-ACMVSEJYSA-N |
Canonical SMILES |
CC(=O)OCC1C(C(C(C(O1)OC(=O)C)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C |
Isomeric SMILES |
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)C)N2C(=O)C3=CC=CC=C3C2=O)OC(=O)C)OC(=O)C |
Physical and chemical properties of 10022-13-6
Acidity coefficient |
-2.55±0.20(Predicted) |
|---|---|
Boiling Point |
577.3±50.0 °C at 760 mmHg |
Density |
1.4±0.1 g/cm3 |
Exact Mass |
477.127106 |
Flash Point |
302.9±30.1 °C |
Index of Refraction |
1.571 |
LogP |
3.06 |
Melting Point |
200ºC |
Molecular Formula |
C22H23NO11 |
Molecular Weight |
477.418 |
PSA |
151.81000 |
Stability |
Temperature Sensitive |
Storage condition |
Freezer |
Vapour Pressure |
0.0±1.6 mmHg at 25°C |
Safety Information of 10022-13-6
Applications of 10022-13-6
1,3,4,6-Tetra-O-acetyl-2-deoxy-2-phthalimido-beta-D-glucopyranose finds applications in various fields:
- Medicinal Chemistry: As a building block for synthesizing more complex carbohydrate derivatives with potential therapeutic properties.
- Biochemical Research: Used in studies related to enzyme inhibition and carbohydrate metabolism.
- Synthetic Organic Chemistry: Serves as an intermediate in the synthesis of other biologically active compounds.
Interaction Studies of 10022-13-6
Interaction studies involving 1,3,4,6-Tetra-O-acetyl-2-deoxy-2-phthalimido-beta-D-glucopyranose have focused on its binding affinity with enzymes such as glycosidases and kinases. These studies help elucidate its mechanism of action and potential as a lead compound for drug development. Investigations into its interactions with other biomolecules are ongoing to better understand its biological implications.
Physical sample testing spectrum (NMR) of 10022-13-6
Cas:107671-54-5
Cas:7772-87-4
Cas:108-24-7
Cas:17460-45-6
Cas:85-44-9