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38896-90-1 | Phenylalanine, 4-[(4-hydroxy-3,5-diiodophenyl)methyl]-3,5-diiodo-
CAS No: 38896-90-1 Catalog No: AG0077K3 MDL No:
Product Description
Catalog Number:
AG0077K3
Chemical Name:
Phenylalanine, 4-[(4-hydroxy-3,5-diiodophenyl)methyl]-3,5-diiodo-
CAS Number:
38896-90-1
Molecular Formula:
C16H13I4NO3
Molecular Weight:
774.8972
IUPAC Name:
(2S)-2-amino-3-[4-[(4-hydroxy-3,5-diiodophenyl)methyl]-3,5-diiodophenyl]propanoic acid
InChI:
InChI=1S/C16H13I4NO3/c17-10-2-8(6-14(21)16(23)24)3-11(18)9(10)1-7-4-12(19)15(22)13(20)5-7/h2-5,14,22H,1,6,21H2,(H,23,24)/t14-/m0/s1
InChI Key:
MTUGLISWKJCYIT-AWEZNQCLSA-N
SMILES:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Cc1cc(I)c(c(c1)I)O)N
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
774.707g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
774.902g/mol
Monoisotopic Mass:
774.707g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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