AG002A66

205526-29-0 | Fmoc-D-4-iodophenylalanine

AG002A66

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CAS Number	205526-29-0
Catalog Number	AG002A66(AGN-PC-0QVDAB)
Chemical Name	Fmoc-D-4-iodophenylalanine
IUPAC Name	(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-iodophenyl)propanoic acid
InChI	InChI=1S/C24H20INO4/c25-16-11-9-15(10-12-16)13-22(23(27)28)26-24(29)30-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,29)(H,27,28)/t22-/m1/s1
InChI Key	LXOXXTQKKRJNNB-JOCHJYFZSA-N
MDL Number	MFCD00672557
Molecular Formula	C24H20INO4
Molecular Weight	513.3244
SMILES	O=C(O)[C@@H](CC1=CC=C(I)C=C1)NC(OCC2C3=CC=CC=C3C4=CC=CC=C24)=O
Synonyms	205526-29-0, Fmoc-D-Phe(4-I)-OH, Fmoc-4-iodo-D-phenylalanine, Fmoc-D-4-Iodophenylalanine, Fmoc-D-4-Iodophe, Fmoc-4'-iodo-D-Phe, Fmoc-4-Iodo-D-Phe-OH, MFCD00672557, (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-iodophenyl)propanoic acid, J-300415, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-iodophenyl)propanoic acid, AK-81189, fmoc-d-4-iodo-phenylalanine, SCHEMBL120625, CTK8C5104, DTXSID90583817, ZINC621955, ZX-AT014640, 0542AB, ANW-74138, CF-356, AC-9916, AM83380, OR14613, RTR-009597, KS-00000J33, AJ-23757, DS-16167, SC-10820, AX8019283, TL8006272, FT-0656663, Fmoc-D-Phe(4-I)-OH, >=96.0% (HPLC), 526F290, D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-iodo-, N-{[(9H-Fluoren-9-yl)methoxy]carbonyl}-4-iodo-D-phenylalanine, (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-iodophenyl)propionic acid, (2R)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-3-(4-iodophenyl)propanoic acid, (2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(4-iodophenyl)propanoic acid, (R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(4-iodophenyl)propanoic acid, 4-iodo-d-phenylalanine, C24H20INO4, Fmoc-D-Phe(4-I)-OH - 5G 5g, A7608,

Complexity	584
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	513.044g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	513.331g/mol
Monoisotopic Mass	513.044g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

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

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