Dansyl-tpa-13-desacetate

Base Information

• Chemical Name: Dansyl-tpa-13-desacetate
• CAS No.: 98897-17-7
• Molecular Formula: C44H62 N2 O9 S
• Molecular Weight: 795.03608
• DSSTox Substance ID: DTXSID00913005
• Mol file: 98897-17-7.mol

Synonyms:12-O-(12-N-dansylaminododecanoyl)phorbol;dansyl-TPA-13-desacetate

Chemical Property of Dansyl-tpa-13-desacetate

Chemical Property:

• Vapor Pressure: 2.24E-33mmHg at 25°C
• Boiling Point: 882.6°Cat760mmHg
• Flash Point: 487.6°C
• Density: 1.3g/cm³
• XLogP3: 6
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 18
• Exact Mass: 794.41760273
• Heavy Atom Count: 56
• Complexity: 1620

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)O)OC(=O)CCCCCCCCCCCNS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C
• Isomeric SMILES: C[C@@H]1[C@H](C2(C(C2(C)C)[C@H]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)O)C)O)O)OC(=O)CCCCCCCCCCCNS(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C