N-(tert-Butyloxy)carbonyl-L-thyroxine - CAS 88404-22-2
Catalog: |
BB062055 |
Product Name: |
N-(tert-Butyloxy)carbonyl-L-thyroxine |
CAS: |
88404-22-2 |
Synonyms: |
N-[(1,1-Dimethylethoxy)carbonyl]-O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine |
IUPAC Name: | (2S)-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
Description: | N-(tert-Butyloxy)carbonyl-L-thyroxine is used in the preparation of Thyroxine (T425601) analogue biosensors for use on the BIAcore surface plasmon resonance instrument. |
Molecular Weight: | 876.99 |
Molecular Formula: | C20H19I4NO6 |
Canonical SMILES: | CC(C)(C)OC(=O)NC(CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)C(=O)O |
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 |
Solubility: | Chloroform, Dichloromethane, Methanol |
References: | Adamczyk, M. et al. Bioconj. Chem., 8, 133 (1997). |
Complexity: | 609 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 876.7391 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 876.7391 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 105Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 6.3 |
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