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Home > Fluorides > 131238-01-2
131238-01-2 | L-Tyrosine, N-(4-azido-2,3,5,6-tetrafluorobenzoyl)-
CAS No: 131238-01-2 Catalog No: AG000VSA MDL No:
Product Description
Catalog Number:
AG000VSA
Chemical Name:
L-Tyrosine, N-(4-azido-2,3,5,6-tetrafluorobenzoyl)-
CAS Number:
131238-01-2
Molecular Formula:
C16H10F4N4O4
Molecular Weight:
398.2686
IUPAC Name:
(2S)-2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C16H10F4N4O4/c17-10-9(11(18)13(20)14(12(10)19)23-24-21)15(26)22-8(16(27)28)5-6-1-3-7(25)4-2-6/h1-4,8,25H,5H2,(H,22,26)(H,27,28)/t8-/m0/s1
InChI Key:
OTOYSZBRLQZOQG-QMMMGPOBSA-N
SMILES:
[N-]=[N+]=Nc1c(F)c(F)c(c(c1F)F)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
398.064g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
398.274g/mol
Monoisotopic Mass:
398.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Application of an N-(4-azido-2,3,5,6-tetrafluorobenzoyl)tyrosine-substituted peptide as a heterobifunctional cross-linking agent in a study of protein O-glycosylation in yeast. | Bioconjugate chemistry 19920101 |
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