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173383-29-4 | D-Tyrosine, 3,5-dibromo-, methyl ester
CAS No: 173383-29-4 Catalog No: AG001YUI MDL No:
Product Description
Catalog Number:
AG001YUI
Chemical Name:
D-Tyrosine, 3,5-dibromo-, methyl ester
CAS Number:
173383-29-4
Molecular Formula:
C10H11Br2NO3
Molecular Weight:
353.0072
IUPAC Name:
methyl (2R)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoate
InChI:
InChI=1S/C10H11Br2NO3/c1-16-10(15)8(13)4-5-2-6(11)9(14)7(12)3-5/h2-3,8,14H,4,13H2,1H3/t8-/m1/s1
InChI Key:
XIWWDKTXRPGESF-MRVPVSSYSA-N
SMILES:
COC(=O)[C@@H](Cc1cc(Br)c(c(c1)Br)O)N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
352.909g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
353.01g/mol
Monoisotopic Mass:
350.911g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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