AG00HA01

103213-31-6 | Fmoc-3,5-diiodo-l-tyrosine

AG00HA01

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CAS Number	103213-31-6
Catalog Number	AG00HA01(AGN-PC-0NVJNK)
Chemical Name	Fmoc-3,5-diiodo-l-tyrosine
IUPAC Name	(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid
InChI	InChI=1S/C24H19I2NO5/c25-19-9-13(10-20(26)22(19)28)11-21(23(29)30)27-24(31)32-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18,21,28H,11-12H2,(H,27,31)(H,29,30)/t21-/m0/s1
InChI Key	IKNWCIROCRMKAY-NRFANRHFSA-N
MDL Number	MFCD00063330
Molecular Formula	C24H19I2NO5
Molecular Weight	655.2203
SMILES	O=C(O)[C@@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC(I)=C(O)C(I)=C4
Synonyms	103213-31-6, Fmoc-Tyr(3,5-I2)-OH, Fmoc-3,5-diiodo-L-tyrosine, Fmoc-3,5-diiodo-Tyr-OH, (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid, L-Tyrosine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,5-diiodo-, MFCD00063330, N-Alpha-(9-Fluorenylmethyloxycarbonyl)-L-3,5-Diiodo-Tyrosine, IKNWCIROCRMKAY-NRFANRHFSA-N, SCHEMBL120691, CTK7G2369, N-fmoc-(s)-3,5-diiodotyrosine, KS-00000IM3, CF-855, AKOS015837324, AKOS015903769, ZINC150338970, CS-W009583, DS-7889, RTR-000729, AK162644, AX8017339, TR-000729, FT-0679846, 213F316, Fmoc-Tyr(3,5-I2)-OH, >=98.0% (HPLC), J-300289, I14-17782, N-(9H-Fluorene-9-ylmethoxycarbonyl)-3,5-diiodo-L-tyrosine, L-Tyrosine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,5-diiodo-, (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid, (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxy-3,5diiodophenyl)propanoic acid, Fmoc-TYR(3,5-I2)OH, ACN-026369, Fmoc-Tyr(3,5-I2)-OH - 1G 1g,

Complexity	645
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	654.935g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	655.227g/mol
Monoisotopic Mass	654.935g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number