5-(Hexopyranosyloxy)-14-hydroxy-19-oxobufa-3,20,22-trienolide

Base Information

• Chemical Name: 5-(Hexopyranosyloxy)-14-hydroxy-19-oxobufa-3,20,22-trienolide
• CAS No.: 510-58-7
• Molecular Formula: C30H40O10
• Molecular Weight: 560.6326
• DSSTox Substance ID: DTXSID30965279
• Mol file: 510-58-7.mol

Synonyms:DTXSID30965279;Bufa-3,20,22-trienolide, 5-(beta-D-glucopyranosyloxy)-14-hydroxy-19-oxo-, (5-beta)-;LS-45324;5-(Hexopyranosyloxy)-14-hydroxy-19-oxobufa-3,20,22-trienolide

Chemical Property of 5-(Hexopyranosyloxy)-14-hydroxy-19-oxobufa-3,20,22-trienolide

Chemical Property:

• Vapor Pressure: 1.14E-27mmHg at 25°C
• Boiling Point: 774°Cat760mmHg
• Flash Point: 252.1°C
• PSA: 166.89000
• Density: 1.43g/cm³
• LogP: 1.16520
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 560.26214747
• Heavy Atom Count: 40
• Complexity: 1130

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5(C3(CCC=C5)C=O)OC6C(C(C(C(O6)CO)O)O)O
• Isomeric SMILES: C[C@]12CCC3C([C@]1(CC[C@@H]2C4=COC(=O)C=C4)O)CC[C@]5([C@@]3(CCC=C5)C=O)O[C@H]6C(C([C@@H](C(O6)CO)O)O)O