Pyr-dppe

Base Information

• Chemical Name: Pyr-dppe
• CAS No.: 76341-59-8
• Molecular Formula: C53H82 N O10 P S
• Molecular Weight: 956.26
• DSSTox Substance ID: DTXSID00997704
• Nikkaji Number: J1.279.043K
• Wikidata: Q82989946
• Mol file: 76341-59-8.mol

Synonyms:DPPE-pyrene;N-(1-pyrenesulfonyl)dipalmitoyl-L-alpha-phosphatidylethanolamine;Pyr-DPPE;pyrene-DPPE

Chemical Property of Pyr-dppe

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 941.3°C at 760 mmHg
• Flash Point: 523.1°C
• PSA: 172.72000
• Density: 1.126g/cm³
• LogP: 15.88520
• XLogP3: 17.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 42
• Exact Mass: 955.53970598
• Heavy Atom Count: 66
• Complexity: 1460

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNS(=O)(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)CCCCCCCCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNS(=O)(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)CCCCCCCCCCCCCCC

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