477-47-4 Purity
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Specification
The molecular formula of Boc-3-iodo-D-tyr-oh is C14H18INO5.
The molecular weight of Boc-3-iodo-D-tyr-oh is 407.20 g/mol.
The IUPAC name of Boc-3-iodo-D-tyr-oh is (2R)-3-(4-hydroxy-3-iodophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
The InChI of Boc-3-iodo-D-tyr-oh is InChI=1S/C14H18INO5/c1-14(2,3)21-13(20)16-10(12(18)19)7-8-4-5-11(17)9(15)6-8/h4-6,10,17H,7H2,1-3H3,(H,16,20)(H,18,19)/t10-/m1/s1.
The InChIKey of Boc-3-iodo-D-tyr-oh is VQTPRGZNDPHKOU-SNVBAGLBSA-N.
The canonical SMILES of Boc-3-iodo-D-tyr-oh is CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1)O)I)C(=O)O.
The isomeric SMILES of Boc-3-iodo-D-tyr-oh is CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C=C1)O)I)C(=O)O.
The CAS number of Boc-3-iodo-D-tyr-oh is 478183-68-5.
The XLogP3-AA of Boc-3-iodo-D-tyr-oh is 2.8.
Yes, Boc-3-iodo-D-tyr-oh is a canonicalized compound.