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64192-57-0 | 3,3'-diiodothyronine-4-sulfate
CAS No: 64192-57-0 Catalog No: AG00EU36 MDL No:
Product Description
Catalog Number:
AG00EU36
Chemical Name:
3,3'-diiodothyronine-4-sulfate
CAS Number:
64192-57-0
IUPAC Name:
(2S)-2-amino-3-[3-iodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid
InChI:
InChI=1S/C15H13I2NO7S/c16-10-5-8(6-12(18)15(19)20)1-3-13(10)24-9-2-4-14(11(17)7-9)25-26(21,22)23/h1-5,7,12H,6,18H2,(H,19,20)(H,21,22,23)/t12-/m0/s1
InChI Key:
NBAZIIRGURJZJA-LBPRGKRZSA-N
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
604.85g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
605.138g/mol
Monoisotopic Mass:
604.85g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
145A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Compound W, a 3,3'-diiodothyronine sulfate cross-reactive substance in serum from pregnant women--a potential marker for fetal thyroid function. | Pediatric research 20070301 |
| Fetal-to-maternal transfer of thyroid hormone metabolites in late gestation in sheep. | Pediatric research 20060101 |
| Measurement of 3,3'-diiodothyronine sulfate (T2S) in thyroidal and nonthyroidal disease, pregnancy, and fetal/neonatal life. | Metabolism: clinical and experimental 20041001 |
| 3,3'-Diiodothyronine sulfate excretion in maternal urine reflects fetal thyroid function in sheep. | Pediatric research 20010901 |
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