160525-49-5 Purity
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Specification
The molecular formula is C25H22F2NO7P.
It was created on October 26, 2006.
The molecular weight is 517.4 g/mol.
The IUPAC name is (2S)-3-[4-[difluoro(phosphono)methyl]phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
The Canonical SMILES is C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=C(C=C4)C(F)(F)P(=O)(O)O)C(=O)O.
It has 4 hydrogen bond donor counts.
The XLogP3-AA value is 3.4.
The topological polar surface area is 133 Ų.
It has 9 rotatable bond counts.
Yes, it is a canonicalized compound.