107849-54-7

Name β-Hydroxy Thyroxine
CAS 107849-54-7
Molecular Formula C15H11I4NO5
Molecular Weight 792.87
MOL File 107849-54-7.mol
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Chemical Properties

Melting point  >175°C (dec.)
Boiling point  627.4±55.0 °C(Predicted)
density  2.706±0.06 g/cm3(Predicted)
storage temp.  Refrigerator
solubility  DMSO (Slightly), Methanol (Slightly)
form  Solid
pka 1.97±0.34(Predicted)
color  White to Pale Beige
InChI InChI=1/C15H11I4NO5/c16-7-3-6(4-8(17)13(7)22)25-14-9(18)1-5(2-10(14)19)12(21)11(20)15(23)24/h1-4,11-12,21-22H,20H2,(H,23,24)/t11-,12?/s3
InChIKey QIFVILYTCIFAPL-BJWPUJNWNA-N
SMILES c1(O)c(I)cc(Oc2c(I)cc(C(O)[C@@H](C(=O)O)N)cc2I)cc1I |&1:14,r|

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