165049-28-5
Product Name:
N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid 1,5-diethyl ester 4-methylbenzenesulfonate
Formula:
C31H37N5O9S
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COMPUTED DESCRIPTORS
| Molecular Weight | 655.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 14 |
| Exact Mass | 655.23119895 g/mol |
| Monoisotopic Mass | 655.23119895 g/mol |
| Topological Polar Surface Area | 228 Ų |
| Heavy Atom Count | 46 |
| Formal Charge | 0 |
| Complexity | 1020 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |