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878499-09-3 | L-Phenylalanine, 3,5-diiodo-4-[(3-iodophenyl)thio]-
CAS No: 878499-09-3 Catalog No: AG004GYP MDL No:
Product Description
Catalog Number:
AG004GYP
Chemical Name:
L-Phenylalanine, 3,5-diiodo-4-[(3-iodophenyl)thio]-
CAS Number:
878499-09-3
Molecular Formula:
C15H12I3NO2S
Molecular Weight:
651.0397
IUPAC Name:
(2S)-2-amino-3-[3,5-diiodo-4-(3-iodophenyl)sulfanylphenyl]propanoic acid
InChI:
InChI=1S/C15H12I3NO2S/c16-9-2-1-3-10(7-9)22-14-11(17)4-8(5-12(14)18)6-13(19)15(20)21/h1-5,7,13H,6,19H2,(H,20,21)/t13-/m0/s1
InChI Key:
HEXFUDVLHZYTHA-ZDUSSCGKSA-N
SMILES:
OC(=O)[C@H](Cc1cc(I)c(c(c1)I)Sc1cccc(c1)I)N
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
650.772g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
651.039g/mol
Monoisotopic Mass:
650.772g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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