19254-05-8
Product Name:
Adenosine 5'-(trihydrogen diphosate), 2'-(sodium hydrogen phosphate), p',5'-ester with 3-(aminothioxomethyl)-1-beta-D-ribofuranosylpyridium inner salt
Formula:
C21H28N7O16P3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 759.5 g/mol |
|---|---|
| XLogP3 | -5.3 |
| Hydrogen Bond Donor Count | 8 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 13 |
| Exact Mass | 759.05261000 g/mol |
| Monoisotopic Mass | 759.05261000 g/mol |
| Topological Polar Surface Area | 383 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 1310 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |