5-[3-(Perylene-3-ylmethoxy)-1-propynyl]-2'-deoxyuridine

Base Information

• Chemical Name: 5-[3-(Perylene-3-ylmethoxy)-1-propynyl]-2'-deoxyuridine
• CAS No.: 877643-26-0
• Molecular Formula: C33H26N2O6
• Molecular Weight: 546.56900
• ChEMBL ID: CHEMBL3797950
• DSSTox Substance ID: DTXSID30468371
• Nikkaji Number: J2.308.994G
• Wikidata: Q82295544

Synonyms:877643-26-0;CTK2I2072;5-[3-(Perylene-3-ylmethoxy)-1-propynyl]-2'-deoxyuridine;CHEMBL3797950;DTXSID30468371

Chemical Property of 5-[3-(Perylene-3-ylmethoxy)-1-propynyl]-2'-deoxyuridine

Chemical Property:

• PSA: 114.04000
• LogP: 4.20850
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 546.17908655
• Heavy Atom Count: 41
• Complexity: 1130

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=C(C(=O)NC2=O)C#CCOCC3=C4C=CC=C5C4=C(C=C3)C6=CC=CC7=C6C5=CC=C7)CO)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C#CCOCC3=C4C=CC=C5C4=C(C=C3)C6=CC=CC7=C6C5=CC=C7)CO)O

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