AG000FDS

114873-10-8 | D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-

AG000FDS

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CAS Number	114873-10-8
Catalog Number	AG000FDS(AGN-PC-0NYKSL)
Chemical Name	D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-
IUPAC Name	(2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
InChI	InChI=1S/C14H18FNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-6-4-5-7-10(9)15/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChI Key	NTWUXBKUDXGMHV-LLVKDONJSA-N
MDL Number	MFCD00672521
Molecular Formula	C14H18FNO4
Molecular Weight	283.2954
SMILES	O=C(O)[C@H](NC(OC(C)(C)C)=O)CC1=CC=CC=C1F
Synonyms	114873-10-8, Boc-D-Phe(2-F)-OH, Boc-2-fluoro-D-phenylalanine, BOC-D-2-Fluorophe, (R)-2-((tert-Butoxycarbonyl)amino)-3-(2-fluorophenyl)propanoic acid, Boc-D-2-fluorophenylalanine, Boc-L-phe(2-F)-OH, (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid, N-(tert-butoxycarbonyl)-2-fluoro-D-phenylalanine, (2R)-2-(tert-butoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid, (2R)-2-(tert-butoxycarbonylamino)-3-(2-fluorophenyl)propionic acid, (2R)-3-(2-fluorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid, (R)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(2-FLUOROPHENYL)PROPANOIC ACID, AK-80205, AK-81142, PubChem6127, AC1ODU0D, BOC-2-FLUORO-D-PHE, Boc-D-2-Fluoro phenylalanine, SCHEMBL270318, CTK8C5115, KS-00000LVI, DTXSID60427299, NTWUXBKUDXGMHV-LLVKDONJSA-N, KS-00000LW5, ZINC2567674, (2R)-2-[(tert-butoxycarbonyl)amino]-3-(2-fluorophenyl)propanoic acid, ANW-74177, CB-728, MFCD00672521, PC5023, AKOS015994903, AB06793, AC-5823, AM83331, RP29889, RTR-002711, AJ-41449, CC-25007, PS-12132, AX8005221, TR-002711, FT-0629972, 73F108, Boc-D-Phe(2-F)-OH, >=98.0% (TLC), C-17823, J-003147, N-ALPHA-T-BUTYLOXYCARBONYL-D-2-FLUOROPHENYLALANINE, D-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-fluoro-, (R)-2-(tert-butoxycarbonylamino)-3-(2-fluorophenyl)propanoic acid, (R)-2-tert-butoxycarbonylamino-3-(2-fluorophenyl)propionic acid, (R)-2-TERT-BUTOXYCARBONYLAMINO-3-(2-FLUORO-PHENYL)-PROPIONIC ACID, Boc-Phe(2-F)-OH, BOC-L-2-Fluorophe, Boc-D-2-Fluoro-4-chlorophe, 114873-00-6, ACN-034029, CB11069, CID7020833, Boc-D-Phe(2-F)-OH, 95% - 1G 1g, (R)-2-((tert-Butoxycarbonyl)amino)-3-(2-fluorophenyl)propanoicacid, 3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	283.122g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	283.299g/mol
Monoisotopic Mass	283.122g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

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

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