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
Inquiry
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 |