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857-98-7 | L-Tyrosine, O-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-3,5-diiodo-
CAS No: 857-98-7 Catalog No: AG004XX8 MDL No:
Product Description
Catalog Number:
AG004XX8
Chemical Name:
L-Tyrosine, O-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-3,5-diiodo-
CAS Number:
857-98-7
Molecular Formula:
C19H21I2NO4
Molecular Weight:
581.1833
IUPAC Name:
(2S)-2-amino-3-[4-(3-tert-butyl-4-hydroxyphenoxy)-3,5-diiodophenyl]propanoic acid
InChI:
InChI=1S/C19H21I2NO4/c1-19(2,3)12-9-11(4-5-16(12)23)26-17-13(20)6-10(7-14(17)21)8-15(22)18(24)25/h4-7,9,15,23H,8,22H2,1-3H3,(H,24,25)/t15-/m0/s1
InChI Key:
KBSJFXNDLVCBFP-HNNXBMFYSA-N
SMILES:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)C(C)(C)C)O)N
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
580.956g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
581.189g/mol
Monoisotopic Mass:
580.956g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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