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14099-98-0 | L-Tyrosine, 3,5-diiodo-O-phenyl-
CAS No: 14099-98-0 Catalog No: AG001FOU MDL No:
Product Description
Catalog Number:
AG001FOU
Chemical Name:
L-Tyrosine, 3,5-diiodo-O-phenyl-
CAS Number:
14099-98-0
Molecular Formula:
C15H13I2NO3
Molecular Weight:
509.0776
IUPAC Name:
(2S)-2-amino-3-(3,5-diiodo-4-phenoxyphenyl)propanoic acid
InChI:
InChI=1S/C15H13I2NO3/c16-11-6-9(8-13(18)15(19)20)7-12(17)14(11)21-10-4-2-1-3-5-10/h1-7,13H,8,18H2,(H,19,20)/t13-/m0/s1
InChI Key:
UHZWRGXBMIWAMZ-ZDUSSCGKSA-N
SMILES:
N[C@H](C(=O)O)Cc1cc(I)c(c(c1)I)Oc1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
508.898g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
509.082g/mol
Monoisotopic Mass:
508.898g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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