Boc-D-Pen(Mob)-OH

Base Information

• Chemical Name: Boc-D-Pen(Mob)-OH
• CAS No.: 106306-57-4
• Molecular Formula: C₁₈H₂₇NO₅S
• Molecular Weight: 369.482
• DSSTox Substance ID: DTXSID10427027
• Wikidata: Q82239791
• Mol file: 106306-57-4.mol

Synonyms:Boc-D-Pen(Mob)-OH;106306-57-4;BOC-BETA,BETA-DIMETHYL-D-CYS(MOB)-OH;Boc-S-4-Methoxybenzyl-D-penicillamine;(S)-2-((tert-Butoxycarbonyl)amino)-3-((4-methoxybenzyl)thio)-3-methylbutanoic acid;(2S)-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;boc-d-pen(pmeobzl)-oh;SCHEMBL7417020;DTXSID10427027;NEUHEEDQLRFEIM-AWEZNQCLSA-N;MFCD00076973;AKOS015908832;HY-W141814;BS-49065;CS-0201611;Boc-D-Pen(Mob)-OH, >=98.0% (TLC);F72456;J-001567;N-t-butoxycarbonyl-S-(4-methoxybenzyl)-D-penicillamine;Boc-s-4-MethoxybenZyl-D-penicillamine (Boc-D-Pen(Mob)-OH);(S)-2-(tert-butoxycarbonylamino)-3-(4-methoxybenzylthio)-3-methylbutanoic acid

Chemical Property of Boc-D-Pen(Mob)-OH

Chemical Property:

• Vapor Pressure: 8.95E-12mmHg at 25°C
• Melting Point: 108-115°C
• Refractive Index: 1.538
• Boiling Point: 523.2°C at 760 mmHg
• PKA: 3.56±0.10(Predicted)
• Flash Point: 270.2°C
• PSA: 110.16000
• Density: 1.168g/cm³
• LogP: 4.07580
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 369.16099414
• Heavy Atom Count: 25
• Complexity: 453

Purity/Quality:

≥98%,≥99%, ^*data from raw suppliers

Boc-S-4-methoxybenzyl-D-penicillamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CC=C(C=C1)OC
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)SCC1=CC=C(C=C1)OC