AG003872

196404-55-4 | (4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid

AG003872

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CAS Number	196404-55-4
Catalog Number	AG003872(AGN-PC-0QOAXE)
Chemical Name	(4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid
IUPAC Name	(4S,5R)-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
InChI	InChI=1S/C22H25NO6/c1-22(2,3)29-21(26)23-17(14-8-6-5-7-9-14)18(20(24)25)28-19(23)15-10-12-16(27-4)13-11-15/h5-13,17-19H,1-4H3,(H,24,25)/t17-,18+,19?/m0/s1
InChI Key	MSVWUXLRSKRKFZ-PAMZHZACSA-N
MDL Number	MFCD09837613
Molecular Formula	C22H25NO6
Molecular Weight	399.4370
SMILES	COc1ccc(cc1)C1O[C@H]([C@@H](N1C(=O)OC(C)(C)C)c1ccccc1)C(=O)O
Synonyms	196404-55-4, (4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid, (4S,5R)-3-tert-Butoxycarbony-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic acid, (4S,5R)-3-tert-Butoxycarbony-2-(4-anisyl)-4- phenyl-5-oxazolidine carboxylic acid, AK-44901, SCHEMBL7134268, CTK8B4342, DTXSID10457445, ANW-44743, MFCD09837613, AKOS015902337, AC-23877, AN-30050, AS-11439, AX8041420, DB-065904, ST2414361, TC-133488, FT-0697924, ST24034051, 404B554, I14-13526, (4S,5R)-3-tert-Butoxycarbonyl-2-(4-anisyl)-4-phenyl-5-oxazolidinecarboxylic acid, (4S,5R)-3-tert-butoxycarbonyl-2-(4-methoxyphenyl)-4-phenyl-oxazolidine-5-carboxylic acid, (4S,5R)-2-(4-Methoxyphenyl)-3-(tert-butyloxycarbonyl)-4-phenyloxazolidine-5-carboxylic acid, (4S,5R)-2-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid, (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-3,5-Oxazolidinedicarboxylic acid 3-(1,1-dimethylethyl)ester, (4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid, C22H25NO6, MSVWUXLRSKRKFZ-PAMZHZACSA-N, ACN-032471, CID 9822245, CID11165464, (4S,5R)-3-tert-butoxycarbony-2-(4-anisy)-4-phenyl-5-oxazolidinecarboxylic acid, (2R,4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyloxazolidine-5-carboxylic acid, (4S,5R)-3-(tert-Butoxycarbonyl)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-5-carboxylic acid, 98.5% - 1G 1g, 155396-69-3,

Complexity	574
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	399.168g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	399.443g/mol
Monoisotopic Mass	399.168g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	85.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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

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