3-Dimethylaminoacetyl strophanthidin

Base Information

• Chemical Name: 3-Dimethylaminoacetyl strophanthidin
• CAS No.: 63979-67-9
• Molecular Formula: C27H39 N O7
• Molecular Weight: 489.6011
• DSSTox Substance ID: DTXSID10981553

Synonyms:3-Dimethylaminoacetyl strophanthidin;Strophanthidin, 3-dimethylaminoacetyl-;63979-67-9;C26-H39-N-O7;DTXSID10981553;Card-20(22)-enolide, 3-[[(dimethylamino)acetyl]oxy]-5,14-dihydroxy-19-oxo-, (3.beta.,5.beta.)-;LS-147095;3-[(N,N-Dimethylglycyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

Chemical Property of 3-Dimethylaminoacetyl strophanthidin

Chemical Property:

• Vapor Pressure: 2.76E-19mmHg at 25°C
• Boiling Point: 643.7°Cat760mmHg
• PKA: 13.58±0.70(Predicted)
• Flash Point: 343.1°C
• PSA: 113.37000
• Density: 1.29g/cm³
• LogP: 2.01070
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 489.27265258
• Heavy Atom Count: 35
• Complexity: 948

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC(=O)CN(C)C)C=O)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H](C1(CC[C@@H]2C4=CC(=O)OC4)O)CC[C@]5([C@@]3(CC[C@@H](C5)OC(=O)CN(C)C)C=O)O

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