K-STROPHANTHIN

Base Information

• Chemical Name: K-STROPHANTHIN
• CAS No.: 11005-63-3
• Molecular Formula: C36H54O14
• Molecular Weight: 710.90
• European Community (EC) Number: 234-239-9,209-210-9
• UNII: K935S3T1OE
• ChEMBL ID: CHEMBL540506
• DSSTox Substance ID: DTXSID00971387
• Metabolomics Workbench ID: 142411,144405
• Nikkaji Number: J14.228J
• Wikidata: Q27149806
• Mol file: 11005-63-3.mol

Synonyms:k-Strophanthin(8CI);

Chemical Property of K-STROPHANTHIN

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 165 °C
• Refractive Index: 1.613
• Boiling Point: 877.1°C at 760 mmHg
• Flash Point: 270.1°C
• PSA: 210.90000
• Density: 1.42g/cm³
• LogP: 0.25750
• Water Solubility.: 22.73g/L(25 oC)
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 8
• Exact Mass: 710.35135639
• Heavy Atom Count: 50
• Complexity: 1330

Purity/Quality:

98%min ^*data from raw suppliers

STROPHANTHIN K Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s): 3
• Hazard Codes: T
• Statements: 23/25-33
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)CO)O)O)O
• Isomeric SMILES: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O