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1217676-14-6 | 3,3',5'-Triiodothyronine-(diiodophenyl-13C6) hydrochloride
CAS No: 1217676-14-6 Catalog No: AG00A08D MDL No:
Product Description
Catalog Number:
AG00A08D
Chemical Name:
3,3',5'-Triiodothyronine-(diiodophenyl-13C6) hydrochloride
CAS Number:
1217676-14-6
IUPAC Name:
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy-3-iodophenyl]propanoic acid;hydrochloride
InChI:
InChI=1S/C15H12I3NO4.ClH/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8;/h1-3,5-6,12,20H,4,19H2,(H,21,22);1H/t12-;/m0./s1/i5+1,6+1,8+1,10+1,11+1,14+1;
InChI Key:
YCBXNJGXKMWFLL-UKPPHBCASA-N
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
692.787g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
6
Molecular Weight:
693.39g/mol
Monoisotopic Mass:
692.787g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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