Digitin

Base Information

• Chemical Name: Digitin
• CAS No.: 11024-24-1
• Molecular Formula: C56H92O29
• Molecular Weight: 1229.33
• Hs Code.: 29389090
• European Community (EC) Number: 234-255-6
• Wikipedia: Digitonin
• ChEMBL ID: CHEMBL404811
• Mol file: 11024-24-1.mol

Synonyms:Digitin;Digitonin

Chemical Property of Digitin

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: 230-240 °C (dec.)(lit.)
• Refractive Index: -52 ° (C=1, EtOH)
• Boiling Point: 788.4°C (rough estimate)
• PKA: 12.68±0.70(Predicted)
• PSA: 454.67000
• Density: 1.59 g/cm³
• LogP: -6.50450
• Storage Temp.: Store at RT.
• Solubility.: H2O: 10 mg/mL at 95 °C hot, clear, colorle
• XLogP3: -3.9
• Hydrogen Bond Donor Count: 17
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 14
• Exact Mass: 1228.57242689
• Heavy Atom Count: 85
• Complexity: 2230

Purity/Quality:

99.9% ^*data from raw suppliers

Digitonin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 22-28-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Biochemical Research
• Canonical SMILES: CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1
• Isomeric SMILES: C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)[C@H]([C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@@]5(C[C@H]([C@@H](C6)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H](C([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1
• Uses: enhances membrane permeability Natural surfactant useful for receptor solubilization and cell permeabilization, e.g., blood platelets, hepatocytes, yeast or tumor cells Clinical reagent (cholesterol determination). Digitonin has been used in a study to assess a procedure for isolating mitochondria from ascites tumor cells. It has also been used in a study to investigate its effect on the cytotoxicity of plant secondary metabolites in cancer cells. This mild nonionic detergent can be used to solubilize receptors and permeabilize cellular and nuclear membranes.