77837-26-4
Product Name:
5,9-DIMETHYL-3-ETHYL-5'-PHENYL-3'-(4-SULFOBUTYL)OXATHIACARBOCYANINE BETAINE
Formula:
C31H32N2O4S2
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COMPUTED DESCRIPTORS
| Molecular Weight | 560.7 g/mol |
|---|---|
| XLogP3 | 7.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 8 |
| Exact Mass | 560.18034985 g/mol |
| Monoisotopic Mass | 560.18034985 g/mol |
| Topological Polar Surface Area | 110 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 974 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |