Tmpte

Base Information

• Chemical Name: Tmpte
• CAS No.: 94591-68-1
• Molecular Formula: C28H34 N2 O9
• Molecular Weight: 542.58
• DSSTox Substance ID: DTXSID10915434

Synonyms:thymidine-8-methoxypsoralen tetramethylethylene diadduct;TMPTE

Chemical Property of Tmpte

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.378g/cm³
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 3
• Exact Mass: 542.22643067
• Heavy Atom Count: 39
• Complexity: 1130

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1(C2C(C1(C)C)C(=O)OC3=C2C=C4C5C(C6C5(C(=O)NC(=O)N6C7CC(C(O7)CO)O)C)OC4=C3OC)C
• Isomeric SMILES: CC1(C2C(C1(C)C)C(=O)OC3=C2C=C4C5C(C6C5(C(=O)NC(=O)N6C7C[C@@H]([C@H](O7)CO)O)C)OC4=C3OC)C

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