120705-67-1
(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
Name
(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
Formula
C21 H33 N O5 S Si
MolWeight
439.646
1Identification
【Name】
(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
【CAS】
158365-51-6
;120705-67-1
【MDL】
MFCD09039289
【English Synonyms】
ALLY(1R,2R,5R,6S)-6(1'-TERT-BUTYLDIMETHYLSILYLOXYETHYL)-2-(2''-TETRAHYDROFURANYL)PENEM-3-CARBOXYLATE
【Formula】
C21 H33 N O5 S Si
【MolWeight】
439.646
【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
【InChIKey】
InChIKey=MASHLNCIEFIURF-BKEDOTJMSA-N
【SMILES】
C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)OCC=C)O[Si](C)(C)C(C)(C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
(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.cml
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