AG006VRU

51-49-0 | (R)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoic acid

AG006VRU

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CAS Number	51-49-0
Catalog Number	AG006VRU(AGN-PC-0OBILQ)
Chemical Name	(R)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoic acid
IUPAC Name	(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
InChI	InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1
InChI Key	XUIIKFGFIJCVMT-GFCCVEGCSA-N
MDL Number	MFCD00063056
Molecular Formula	C15H11I4NO4
Molecular Weight	776.8700
SMILES	O(c1cc(I)c(c(c1)I)O)c1c(I)cc(cc1I)C[C@H](C(=O)O)N
UNII	4W9K63FION
Synonyms	Choloxin, D Thyroxine, D-T4 Thyroid Hormone, D-Thyroxine, Dextrothyroxine, Dextrothyroxine Sodium, Sodium Dextrothyroxine, D-Thyroxine, Dextrothyroxine, 51-49-0, Choloxin, (R)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoic acid, Dextrothyroxinum, UNII-4W9K63FION, DEXTROTHYROXINE SODIUM, D-T4, D-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, EINECS 200-102-7, CHEMBL559, 4W9K63FION, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-D-tyrosine, CHEBI:30659, (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid, D-4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodobenzylalanine, C15H11I4NO4, (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic aci d, Dextrothyroxine [BAN], D-T4 Thyroid Hormone, T4 (LIOTRIX), CAS-51-48-9, AK-89309, D-Thyroxine, 99%, AC1L1RL4, AC1Q5R0S, SCHEMBL61194, GTPL6951, BCBcMAP01_000232, CTK8B9805, KS-00000KLZ, DTXSID60199000, XUIIKFGFIJCVMT-GFCCVEGCSA-N, ACT03142, ZINC3830994, ANW-63155, BDBM50225220, MFCD00063056, AKOS007930308, API0002505, DB00509, SMP1_000296, NCGC00016228-01, AN-41606, DS-18593, ST075205, AX8033885, LS-175203, TR-018335, FT-0675208, ST24035310, 051T490, C-47152, I14-54064, UNII-QR0BV3BRIA component XUIIKFGFIJCVMT-GFCCVEGCSA-N, (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid, Liotrix, D Thyroxine, Sodium dextrothyroxine, Thyroxine I 125, D03TPR, CID8730, 3,5,3',5'-Tetraiodo-L-thyronine, AR-1K8359, C15-H11-I4-N-O4, D003918, D-4-(4-hydroxy-3,5-diiodphenoxy)-3,5-diiodbenzylalanin, (R)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoicacid, 6304-66-1, DT4, T44,

Complexity	420
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	776.687g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	776.874g/mol
Monoisotopic Mass	776.687g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	92.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number