779323-43-2
Product Name:
(1R,2S,4S,5S)-4-[2-IODO-6-(METHYLAMINO)-9H-PURIN-9-YL]-2-(PHOSPHONOOXY)BICYCLO[3.1.0]HEXANE-1-METHANOL DIHYDROGEN PHOSPHATE ESTER TETRAAMMONIUM SALT
Formula:
C13H18IN5O8P2
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COMPUTED DESCRIPTORS
| Molecular Weight | 561.16 g/mol |
|---|---|
| XLogP3 | -1.8 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 560.96753 g/mol |
| Monoisotopic Mass | 560.96753 g/mol |
| Topological Polar Surface Area | 189 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 740 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |