909725-64-0
Product Name:
(S)-3-aMino-4-(3-hexylphenylaMino)-4-oxobutylphosphonic acid (TFA salt)
Formula:
C18H28F3N2O6P
Synonyms:
S1P1 Control Molecule
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COMPUTED DESCRIPTORS
| Molecular Weight | 456.4 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 456.16370810 g/mol |
| Monoisotopic Mass | 456.16370810 g/mol |
| Topological Polar Surface Area | 150 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 483 |
| 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 |