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1217459-13-6 | 3, 3'-Diiodo-L-thyronine-(phenoxy-13C6) (T2)
CAS No: 1217459-13-6 Catalog No: AG00A08F MDL No:
Product Description
Catalog Number:
AG00A08F
Chemical Name:
3, 3'-Diiodo-L-thyronine-(phenoxy-13C6) (T2)
CAS Number:
1217459-13-6
IUPAC Name:
(2S)-2-amino-3-[4-(4-hydroxy-3-iodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy-3-iodophenyl]propanoic acid
InChI:
InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1/i2+1,3+1,7+1,9+1,10+1,13+1
InChI Key:
CPCJBZABTUOGNM-USQDWSSZSA-N
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
530.914g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
6
Molecular Weight:
531.035g/mol
Monoisotopic Mass:
530.914g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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