4-tert-Butyldimethylsilyl-5'-chloro-4a'-hydroxy-6'-(hydroxyimino)methyl Simvastatin

Base Information

• Chemical Name: 4-tert-Butyldimethylsilyl-5'-chloro-4a'-hydroxy-6'-(hydroxyimino)methyl Simvastatin
• CAS No.: 123852-22-2
• Molecular Formula: C31H52ClNO7Si
• Molecular Weight: 614.28558
• DSSTox Substance ID: DTXSID80561407
• Mol file: 123852-22-2.mol

Synonyms:123852-22-2;4-tert-Butyldimethylsilyl-5'-chloro-4a'-hydroxy-6'-(hydroxyimino)methyl Simvastatin;[(1S,3S,4S,4aS,7S,8S,8aS)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4-chloro-4a-hydroxy-3-[(E)-hydroxyiminomethyl]-7-methyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate;DTXSID80561407;J-004990

Chemical Property of 4-tert-Butyldimethylsilyl-5'-chloro-4a'-hydroxy-6'-(hydroxyimino)methyl Simvastatin

Chemical Property:

• Boiling Point: 671.7±55.0 °C(Predicted)
• PKA: 11.31±0.28(Predicted)
• PSA: 114.65000
• Density: 1.19±0.1 g/cm3(Predicted)
• LogP: 6.46730
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 613.3201572
• Heavy Atom Count: 41
• Complexity: 1010

Purity/Quality:

99% ^*data from raw suppliers

4-tert-Butyldimethylsilyl-5’-chloro-4a’-hydroxy-6’-(hydroxyimino)methylSimvastatin ^*data from reagent suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)(C)C(=O)OC1CC(C(C2(C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O[Si](C)(C)C(C)(C)C)O)Cl)C=NO
• Isomeric SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H]([C@@H]([C@]2([C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)O)Cl)/C=N/O

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Get Best Price for 123852-22-2 [1S-[1α,3α,4β,4aα,7β,8β(2S*,4S*)]]-2,2-DiMethylbutanoic Acid 4-Chloro-8-[2-[4-[[(1,1-diMethylethyl)diMethylsilyl]oxy]tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,4,4a,7,8,8a-octahydro-4a-hydroxy-3-[(hydroxyiMino)Methyl]-7-Methyl-1-naphthalenyl Ester

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