1,2-Distearoyl-sn-glycero-3-phospho-N-(4-azido-3-iodo-2-hydroxybenzoyl)ethanolamine

Base Information

• Chemical Name: 1,2-Distearoyl-sn-glycero-3-phospho-N-(4-azido-3-iodo-2-hydroxybenzoyl)ethanolamine
• CAS No.: 128129-55-5
• Molecular Formula: C48H84 I N4 O10 P
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80155820
• Wikidata: Q83023799
• Mol file: 128129-55-5.mol

Synonyms:1,2-distearoyl-sn-glycero-3-phospho-N-(4-azido-3-iodo-2-hydroxybenzoyl)ethanolamine;DGPAIE

Chemical Property of 1,2-Distearoyl-sn-glycero-3-phospho-N-(4-azido-3-iodo-2-hydroxybenzoyl)ethanolamine

Chemical Property:

• PSA: 220.74000
• LogP: 14.80760
• XLogP3: 18.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 46
• Exact Mass: 1032.49714
• Heavy Atom Count: 64
• Complexity: 1280

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)C1=C(C(=C(C=C1)N=[N+]=[N-])I)O)OC(=O)CCCCCCCCCCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)C1=C(C(=C(C=C1)N=[N+]=[N-])[125I])O)OC(=O)CCCCCCCCCCCCCCCCC

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