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Home > Fluorides > 205526-31-4
205526-31-4 | D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4,5-trifluoro-
CAS No: 205526-31-4 Catalog No: AG002A64 MDL No:MFCD00797584
Product Description
Catalog Number:
AG002A64
Chemical Name:
D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4,5-trifluoro-
CAS Number:
205526-31-4
Molecular Formula:
C24H18F3NO4
Molecular Weight:
441.3992
MDL Number:
MFCD00797584
IUPAC Name:
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(3,4,5-trifluorophenyl)propanoic acid
InChI:
InChI=1S/C24H18F3NO4/c25-19-9-13(10-20(26)22(19)27)11-21(23(29)30)28-24(31)32-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,21H,11-12H2,(H,28,31)(H,29,30)/t21-/m1/s1
InChI Key:
VNMUACAZWGQRRL-OAQYLSRUSA-N
SMILES:
O=C(N[C@@H](C(=O)O)Cc1cc(F)c(c(c1)F)F)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
441.119g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
441.406g/mol
Monoisotopic Mass:
441.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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