1061632-48-1
Product Name:
Xanthylium, 9-[4-[[[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]amino]sulfonyl]-2-sulfophenyl]-3,6-bis(diethylamino)-, inner salt
Formula:
C35H46N6O9S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 758.9 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 20 |
| Exact Mass | 758.27676941 g/mol |
| Monoisotopic Mass | 758.27676941 g/mol |
| Topological Polar Surface Area | 178 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1510 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |