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Home > Fluorides > 125218-33-9
125218-33-9 | L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-3-fluoro-
CAS No: 125218-33-9 Catalog No: AG000NCK MDL No:
Product Description
Catalog Number:
AG000NCK
Chemical Name:
L-Tyrosine, N-[(1,1-dimethylethoxy)carbonyl]-3-fluoro-
CAS Number:
125218-33-9
Molecular Formula:
C14H18FNO5
Molecular Weight:
299.2948
IUPAC Name:
(2S)-3-(3-fluoro-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18FNO5/c1-14(2,3)21-13(20)16-10(12(18)19)7-8-4-5-11(17)9(15)6-8/h4-6,10,17H,7H2,1-3H3,(H,16,20)(H,18,19)/t10-/m0/s1
InChI Key:
PIDYYTCMUSVKTJ-JTQLQIEISA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(c(c1)F)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
299.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.298g/mol
Monoisotopic Mass:
299.117g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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