28645-14-9
Product Name:
4,5,4',5'-DIBENZOTHIATRICARBOCYANINE HYDROXIDE, ANHYDRO-11-DIPHENYLAMINO-10,12-ETHYLENE-3,3'-BIS(3-SULFOPROPYL)-, SALT WITH TRIETHYLAMINE
Formula:
C55H58N4O6S4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 999.3 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 16 |
| Exact Mass | 998.32392028 g/mol |
| Monoisotopic Mass | 998.32392028 g/mol |
| Topological Polar Surface Area | 196 Ų |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 1890 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |