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10439-94-8 | Tyrosine,O-[4-hydroxy-3-(1-methylethyl)phenyl]-3,5-diiodo-
CAS No: 10439-94-8 Catalog No: AG007HU8 MDL No:
Product Description
Catalog Number:
AG007HU8
Chemical Name:
Tyrosine,O-[4-hydroxy-3-(1-methylethyl)phenyl]-3,5-diiodo-
CAS Number:
10439-94-8
Molecular Formula:
C18H19I2NO4
Molecular Weight:
567.1567
IUPAC Name:
(2R)-2-(diiodoamino)-2-[[4-(4-hydroxyphenoxy)phenyl]methyl]-3-methylbutanoic acid
InChI:
InChI=1S/C18H19I2NO4/c1-12(2)18(17(23)24,21(19)20)11-13-3-7-15(8-4-13)25-16-9-5-14(22)6-10-16/h3-10,12,22H,11H2,1-2H3,(H,23,24)/t18-/m1/s1
InChI Key:
GJNQSKLKJVPWIR-GOSISDBHSA-N
SMILES:
Oc1ccc(cc1)Oc1ccc(cc1)C[C@@](C(=O)O)(N(I)I)C(C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
566.94g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
567.162g/mol
Monoisotopic Mass:
566.94g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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