569371-10-4
Product Name:
(AS)-ALPHA-AMINO-3-[(4-CARBOXYPHENYL)METHYL]-3,4-DIHYDRO-5-IODO-2,4-DIOXO-1(2H)-PYRIMIDINEPROPANOIC ACID
Formula:
C15H14IN3O6
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COMPUTED DESCRIPTORS
| Molecular Weight | 459.19 g/mol |
|---|---|
| XLogP3 | -2.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Exact Mass | 458.99273 g/mol |
| Monoisotopic Mass | 458.99273 g/mol |
| Topological Polar Surface Area | 141 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 614 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |