(2R,3S)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)butanoic acid

Base Information

• Chemical Name: (2R,3S)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)butanoic acid
• CAS No.: 201217-86-9
• Molecular Formula: C13H25 N O5
• Molecular Weight: 275.34
• DSSTox Substance ID: DTXSID80427155
• Wikidata: Q72470110
• Mol file: 201217-86-9.mol

Synonyms:201217-86-9;BOC-D-THR(TBU)-OH;(2R,3S)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)butanoic acid;Boc-O-tert-butyl-D-threonine;(2R,3S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;(2R,3S)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)butanoicacid;SCHEMBL8222608;DTXSID80427155;MFCD00236876;AKOS024259129;D-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-;DS-16108;CS-0158170;C73811;EN300-1071929;A879825;N-(tert-Butoxycarbonyl)-O-(tert-butyl)-D-threonine;(2R,3S)-3-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}butanoic acid;D-Threonine,N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-

Chemical Property of (2R,3S)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)butanoic acid

Chemical Property:

• Boiling Point: 391.3±37.0 °C(Predicted)
• PKA: 3.53±0.10(Predicted)
• PSA: 84.86000
• Density: 1.070±0.06 g/cm3(Predicted)
• LogP: 2.55880
• Storage Temp.: 2-8°C
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 275.17327290
• Heavy Atom Count: 19
• Complexity: 327

Purity/Quality:

98%,99%, ^*data from raw suppliers

Boc-O-tert-butyl-D-threonine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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