Z-O-tert-butyl-L-threonine benzyl ester

Base Information

• Chemical Name: Z-O-tert-butyl-L-threonine benzyl ester
• CAS No.: 212632-22-9
• Molecular Formula: C23H29NO5
• Molecular Weight: 399.48
• European Community (EC) Number: 695-264-2
• DSSTox Substance ID: DTXSID50475648
• Wikidata: Q82306307
• Mol file: 212632-22-9.mol

Synonyms:212632-22-9;Z-THR(TBU)-OBZL;Z-O-tert-butyl-L-threonine benzyl ester;benzyl (2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoate;(2S,3R)-Benzyl 2-(((benzyloxy)carbonyl)amino)-3-(tert-butoxy)butanoate;DTXSID50475648;MFCD00270628;AKOS027384366;BS-25391;Benzyl N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threoninate;Z-o-t-Butyl-L-threonine benZyl ester (CbZ-L-Thr(tBu)-OBZl);(2S,3R)-Benzyl2-(((benzyloxy)carbonyl)amino)-3-(tert-butoxy)butanoate;benzyl (2S, 3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoate

Chemical Property of Z-O-tert-butyl-L-threonine benzyl ester

Chemical Property:

• Boiling Point: 535.4±50.0 °C(Predicted)
• PKA: 10.50±0.46(Predicted)
• PSA: 73.86000
• Density: 1.127±0.06 g/cm3(Predicted)
• LogP: 4.61930
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 399.20457303
• Heavy Atom Count: 29
• Complexity: 504

Purity/Quality:

97% ^*data from raw suppliers

Z-O-tert-Butyl-L-threonineBenzylEster ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC(C)(C)C
• Isomeric SMILES: C[C@H]([C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC(C)(C)C