Ouabain acetonide

Base Information

• Chemical Name: Ouabain acetonide
• CAS No.: 27799-55-9
• Molecular Formula: C32H48 O12
• Molecular Weight: 624.7163
• DSSTox Substance ID: DTXSID40950479

Synonyms:Ouabain acetonide;O-Isopropylidene ouabain;Mono-O-isopropylidene ouabain;BRN 1416265;27799-55-9;5-beta-Card-20(22)-enolide, 3-beta-((6-deoxy-3,4-O-isopropylidene-alpha-L-mannopyranosyl)oxy)-1-beta,5,11-alpha,14,19-pentahydroxy-;DTXSID40950479;C32H48O12;C32-H48-O12;3-{[6-Deoxy-3,4-O-(1-methylethylidene)hexopyranosyl]oxy}-1,5,11,14,19-pentahydroxycard-20(22)-enolide

Chemical Property of Ouabain acetonide

Chemical Property:

• Vapor Pressure: 2.95E-32mmHg at 25°C
• Boiling Point: 833.6°Cat760mmHg
• Flash Point: 265.8°C
• Density: 1.44g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 624.31457696
• Heavy Atom Count: 44
• Complexity: 1210

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1C2C(C(C(O1)OC3CC(C4(C5C(CCC4(C3)O)C6(CCC(C6(CC5O)C)C7=CC(=O)OC7)O)CO)O)O)OC(O2)(C)C
• Isomeric SMILES: CC1[C@@H]2C(C([C@H](O1)O[C@H]3C[C@H]([C@@]4(C5[C@@H](C[C@@]6([C@H](CC[C@@]6(C5CC[C@@]4(C3)O)O)C7=CC(=O)OC7)C)O)CO)O)O)OC(O2)(C)C

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