AG00DD2P

487060-72-0 | rel-(βS)-N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-β-hydroxy-D-phenylalanine

AG00DD2P

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CAS Number	487060-72-0
Catalog Number	AG00DD2P(AGN-PC-0S0JTO)
Chemical Name	rel-(βS)-N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-β-hydroxy-D-phenylalanine
IUPAC Name	(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-phenylpropanoic acid
InChI	InChI=1S/C24H21NO5/c26-22(15-8-2-1-3-9-15)21(23(27)28)25-24(29)30-14-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)20/h1-13,20-22,26H,14H2,(H,25,29)(H,27,28)/t21-,22+/m0/s1
InChI Key	UPEAXWJZGLFDFI-FCHUYYIVSA-N
MDL Number	MFCD06656479
Molecular Formula	C24H21NO5
Molecular Weight	403.4272
SMILES	C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@H]([C@H](C1=CC=CC=C1)O)C(=O)O
Synonyms	487060-72-0, (2R, 3S)/(2S, 3R)-Racemic Fmoc-beta-hydroxyphenylalanine, Fmoc-threo-b-phenylserine, Fmoc-threo-beta-Phenylserine, Fmoc-L-threo-3-Ph-Ser-OMe, (2R,3S)/(2S,3R)-RACEMIC FMOC-beta-HYDROXY-PHENYLALANINE, SCHEMBL12069026, ZINC2583314, 4211AE, MFCD06656479, A-8235, (2R,3S)/(2S,3R)-racemic Fmoc-beta-hydroxyphenylalanine, AldrichCPR, C24H21NO5, / -RACEMICFMOC-BETA-HYDROXY-PHENYLALANINE,

Complexity	582
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	403.142g/mol
Formal Charge	0
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	403.434g/mol
Monoisotopic Mass	403.142g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	95.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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