1809225-04-4
Product Name:
Xanthylium, 9-[4-[[[12-(1α,8α,9β)-bicyclo[6.1.0]non-4-yn-9-yl-10-oxo-3,6,11-trioxa-9-azadodec-1-yl]amino]carbonyl]-2-carboxyphenyl]-3,6-bis(dimethylamino)-, inner salt
Formula:
C42H48N4O8
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COMPUTED DESCRIPTORS
| Molecular Weight | 736.9 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 15 |
| Exact Mass | 736.34721450 g/mol |
| Monoisotopic Mass | 736.34721450 g/mol |
| Topological Polar Surface Area | 142 Ų |
| Heavy Atom Count | 54 |
| Formal Charge | 0 |
| Complexity | 1510 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |