Home Carbonyls N-(tert-Butyloxy)carbonyl-L-thyroxine

N-(tert-Butyloxy)carbonyl-L-thyroxine

CAS No.:
88404-22-2
Catalog Number:
AG00GWLO
Molecular Formula:
C20H19I4NO6
Molecular Weight:
876.9858
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Product Description
Catalog Number:
AG00GWLO
Chemical Name:
N-(tert-Butyloxy)carbonyl-L-thyroxine
CAS Number:
88404-22-2
Molecular Formula:
C20H19I4NO6
Molecular Weight:
876.9858
MDL Number:
MFCD02682290
IUPAC Name:
(2S)-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI:
InChI=1S/C20H19I4NO6/c1-20(2,3)31-19(29)25-15(18(27)28)6-9-4-13(23)17(14(24)5-9)30-10-7-11(21)16(26)12(22)8-10/h4-5,7-8,15,26H,6H2,1-3H3,(H,25,29)(H,27,28)/t15-/m0/s1
InChI Key:
UFXHMKCFGLKNNF-HNNXBMFYSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O
Properties
Complexity:
609  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
876.739g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
876.991g/mol
Monoisotopic Mass:
876.739g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  
Properties