3-(Benzyloxycarbonyl)-4beta-[4-(tert-butoxycarbonylamino)butyl]oxazolidine-2,5-dione

Base Information

• Chemical Name: 3-(Benzyloxycarbonyl)-4beta-[4-(tert-butoxycarbonylamino)butyl]oxazolidine-2,5-dione
• CAS No.: 161990-04-1
• Molecular Formula: C20H26 N2 O7
• Molecular Weight: 406.43
• DSSTox Substance ID: DTXSID201106481
• Nikkaji Number: J790.349I
• Mol file: 161990-04-1.mol

Synonyms:DTXSID201106481;3-(Benzyloxycarbonyl)-4beta-[4-(tert-butoxycarbonylamino)butyl]oxazolidine-2,5-dione;161990-04-1;3-Oxazolidinecarboxylic acid, 4-[4-[[(1,1-dimethylethoxy)carbonyl]amino]butyl]-2,5-dioxo-, phenylmethyl ester, (S)-

Chemical Property of 3-(Benzyloxycarbonyl)-4beta-[4-(tert-butoxycarbonylamino)butyl]oxazolidine-2,5-dione

Chemical Property:

• PKA: 12.86±0.46(Predicted)
• PSA: 111.24000
• Density: 1.240±0.06 g/cm3(Predicted)
• LogP: 3.69440
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 406.17400117
• Heavy Atom Count: 29
• Complexity: 608

Purity/Quality:

Z-LYS(BOC)-N-CARBOXYANHYDRIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NCCCCC1C(=O)OC(=O)N1C(=O)OCC2=CC=CC=C2
• Isomeric SMILES: CC(C)(C)OC(=O)NCCCC[C@H]1C(=O)OC(=O)N1C(=O)OCC2=CC=CC=C2

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