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1260011-49-1 | N-Boc-3,5-Diiodo-DL-tyrosine
CAS No: 1260011-49-1 Catalog No: AG01FF9X MDL No:
Product Description
Catalog Number:
AG01FF9X
Chemical Name:
N-Boc-3,5-Diiodo-DL-tyrosine
CAS Number:
1260011-49-1
Molecular Formula:
C14H17I2NO5
Molecular Weight:
533.0974
IUPAC Name:
3-(4-hydroxy-3,5-diiodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H17I2NO5/c1-14(2,3)22-13(21)17-10(12(19)20)6-7-4-8(15)11(18)9(16)5-7/h4-5,10,18H,6H2,1-3H3,(H,17,21)(H,19,20)
InChI Key:
CTUIJSMDTYBOLW-UHFFFAOYSA-N
SMILES:
OC(=O)C(Cc1cc(I)c(c(c1)I)O)NC(=O)OC(C)(C)C
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.92g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
533.101g/mol
Monoisotopic Mass:
532.92g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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