AG0080UL

120705-67-1 | (5R,6S)-Allyl 6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-((R)-tetrahydrofuran-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

AG0080UL

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CAS Number	120705-67-1
Catalog Number	AG0080UL(AGN-PC-0PF285)
Chemical Name	(5R,6S)-Allyl 6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-((R)-tetrahydrofuran-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
IUPAC Name	prop-2-enyl (5R,6S)-6-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
InChI	InChI=1S/C21H33NO5SSi/c1-8-11-26-20(24)16-17(14-10-9-12-25-14)28-19-15(18(23)22(16)19)13(2)27-29(6,7)21(3,4)5/h8,13-15,19H,1,9-12H2,2-7H3/t13-,14-,15+,19-/m1/s1
InChI Key	MASHLNCIEFIURF-BKEDOTJMSA-N
MDL Number	MFCD09039289
Molecular Formula	C21H33NO5SSi
Molecular Weight	439.6409
SMILES	N12C(=C(S[C@@H]1[C@H](C2=O)[C@H](O[Si](C(C)(C)C)(C)C)C)[C@@H]1OCCC1)C(=O)OCC=C
Synonyms	120705-67-1, (5R,6S)-Allyl 6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-((R)-tetrahydrofuran-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate, (5R,6S)-6-[(R)-1-(tert-Butyl-dimethyl-silanyloxy)-ethyl]-7-oxo-3-(R)-tetrahydro-furan-2-yl-4-thia-1-aza-bicyclo[3.2.0]hept-2-ene-2-carboxylic acid allyl ester, (5R,6S)-6-[(1R)-1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-[(2R)-tetrahydro-2-furanyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 2-propenyl ester, Faropenem intermediate, C21H33NO5SSi, Faropenem Related Compound 3, SCHEMBL2348971, MFCD09039289, AKOS016009625, ZINC169879087, AC-1663, DS-5111, BC219754, P516, TL8000542, FT-0770599, C-45680, J-501621, (5R,6S)-6-[(1R)-1-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]ethyl]-7-oxo-3-[(2R)-tetrahydro-2-furanyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 2-propenyl ester;Faropenem intermediate, (5R,6S)-allyl 6-((R)-1-((tert-butyldimethylsilyl)oxy)ethyl)-7-oxo-3-((S)-tetrahydrofuran-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene- 2-carboxylate, Faropenem sodium, MASHLNCIEFIURF-BKEDOTJMSA-N, FAROPENEM SODIUM INTERMEDIATE, 158365-51-6,

Complexity	729
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	439.185g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	439.642g/mol
Monoisotopic Mass	439.185g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	90.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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