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71400-63-0 | BOC-3-IODO-L-TYROSINE
CAS No: 71400-63-0 Catalog No: AG00FAL7 MDL No:MFCD01632008
Product Description
Catalog Number:
AG00FAL7
Chemical Name:
BOC-3-IODO-L-TYROSINE
CAS Number:
71400-63-0
Molecular Formula:
C14H18INO5
Molecular Weight:
407.2009
MDL Number:
MFCD01632008
IUPAC Name:
(2S)-3-(4-hydroxy-3-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C14H18INO5/c1-14(2,3)21-13(20)16-10(12(18)19)7-8-4-5-11(17)9(15)6-8/h4-6,10,17H,7H2,1-3H3,(H,16,20)(H,18,19)/t10-/m0/s1
InChI Key:
VQTPRGZNDPHKOU-JTQLQIEISA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccc(c(c1)I)O
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
407.023g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
407.204g/mol
Monoisotopic Mass:
407.023g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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