Boc-beta-iodo-D-Ala-OBzl

Base Information

• Chemical Name: Boc-beta-iodo-D-Ala-OBzl
• CAS No.: 125942-79-2
• Molecular Formula: C₁₅H₂₀INO₄
• Molecular Weight: 405.233
• DSSTox Substance ID: DTXSID20546071
• Nikkaji Number: J2.021.955F
• Wikidata: Q82423771
• Mol file: 125942-79-2.mol

Synonyms:125942-79-2;Boc-beta-iodo-D-Ala-OBzl;Boc-3-iodo-D-alanine benzyl ester;Boc-|A-iodo-D-Ala-OBzl;D-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-iodo-, phenylmethyl ester;N-Boc-3-iodo-D-alanine benzyl ester;(S)-Benzyl 2-((tert-butoxycarbonyl)amino)-3-iodopropanoate;benzyl (2S)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;Benzyl N-(tert-butoxycarbonyl)-3-iodo-D-alaninate;Boc- beta -iodo-D-Ala-OBzl;SCHEMBL5356265;DTXSID20546071;AKOS015889533;BOC-3-IODO-D-ALANINEBENZYLESTER;HY-W141850;CS-0201646;Boc-beta-iodo-D-Ala-OBzl, >=98.0% (TLC);F79629;J-005304;(S)-benzyl 2-(tert-butoxycarbonylamino)-3-iodopropanoate;(S)-Benzyl2-((tert-butoxycarbonyl)amino)-3-iodopropanoate

Chemical Property of Boc-beta-iodo-D-Ala-OBzl

Chemical Property:

• Melting Point: 80-84oC(lit.)
• PSA: 64.63000
• LogP: 3.44900
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 405.04371
• Heavy Atom Count: 21
• Complexity: 348

Purity/Quality:

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

Boc-β-iodo-D-Ala-OBzl ≥98.0% (TLC) ^*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(CI)C(=O)OCC1=CC=CC=C1
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H](CI)C(=O)OCC1=CC=CC=C1

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