Boc-D-pen(acm)-OH

Base Information

• Chemical Name: Boc-D-pen(acm)-OH
• CAS No.: 201421-14-9
• Molecular Formula: C13H24 N2 O5 S
• Molecular Weight: 320.40500
• DSSTox Substance ID: DTXSID20426768
• Wikidata: Q82239582
• Mol file: 201421-14-9.mol

Synonyms:BOC-D-PEN(ACM)-OH;201421-14-9;Boc-S-acetamidomethyl-D-penicillamine;(2S)-3-(acetamidomethylsulfanyl)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic Acid;D-Valine,3-[[(acetylamino)methyl]thio]-N-[(1,1-dimethylethoxy)carbonyl]-;DTXSID20426768;129972-45-8;MFCD00151884;AKOS015836506;AS-73117;CS-0333683;3-[(Acetamidomethyl)sulfanyl]-N-(tert-butoxycarbonyl)-D-valine;(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-[(acetamidomethyl)sulfanyl]-3-methylbutanoic acid;(S)-3-((Acetamidomethyl)thio)-2-((tert-butoxycarbonyl)amino)-3-methylbutanoic acid;(S)-3-(acetamidomethylthio)-2-(tert-butoxycarbonylamino)-3-methylbutanoic acid

Chemical Property of Boc-D-pen(acm)-OH

Chemical Property:

• Boiling Point: 532.3±50.0 °C(Predicted)
• PKA: 3.54±0.10(Predicted)
• PSA: 130.03000
• Density: 1.184±0.06 g/cm3(Predicted)
• LogP: 2.35150
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 320.14059304
• Heavy Atom Count: 21
• Complexity: 404

Purity/Quality:

98%Min ^*data from raw suppliers

Boc-S-acetamidomethyl-D-penicillamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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