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28754-51-0 | L-Tyrosine, 3,5-dibromo-O-(3-bromo-4-hydroxyphenyl)-
CAS No: 28754-51-0 Catalog No: AG002WD5 MDL No:
Product Description
Catalog Number:
AG002WD5
Chemical Name:
L-Tyrosine, 3,5-dibromo-O-(3-bromo-4-hydroxyphenyl)-
CAS Number:
28754-51-0
Molecular Formula:
C15H12Br3NO4
Molecular Weight:
509.9721
IUPAC Name:
(2S)-2-amino-3-[3,5-dibromo-4-(3-bromo-4-hydroxyphenoxy)phenyl]propanoic acid
InChI:
InChI=1S/C15H12Br3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
InChI Key:
ITTZHLAFGNDODX-LBPRGKRZSA-N
SMILES:
OC(=O)[C@H](Cc1cc(Br)c(c(c1)Br)Oc1ccc(c(c1)Br)O)N
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
508.83g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
509.976g/mol
Monoisotopic Mass:
506.832g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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