2-(4-(2-(2-((4-Azidophenyl)methylcarbonylamino)ethylaminocarbonyl)ethyl)phenyl)ethylamino-5'-N-ethylcarboxamidoadenosine

Base Information

• Chemical Name: 2-(4-(2-(2-((4-Azidophenyl)methylcarbonylamino)ethylaminocarbonyl)ethyl)phenyl)ethylamino-5'-N-ethylcarboxamidoadenosine
• CAS No.: 129932-69-0
• Molecular Formula: C33H40 N12 O6
• Molecular Weight: 700.7475
• DSSTox Substance ID: DTXSID90156267
• Nikkaji Number: J387.591A
• Wikidata: Q83024314
• Mol file: 129932-69-0.mol

Synonyms:125I-azido-PAPA-APEC;2-(4-(2-(2-((4-azidophenyl)methylcarbonylamino)ethylaminocarbonyl)ethyl)phenyl)ethylamino-5'-N-ethylcarboxamidoadenosine

Chemical Property of 2-(4-(2-(2-((4-Azidophenyl)methylcarbonylamino)ethylaminocarbonyl)ethyl)phenyl)ethylamino-5'-N-ethylcarboxamidoadenosine

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 282.09000
• Density: g/cm³
• LogP: 3.14466
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 16
• Exact Mass: 700.31937704
• Heavy Atom Count: 51
• Complexity: 1190

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)NCCNC(=O)CC5=CC=C(C=C5)N=[N+]=[N-])N)O)O
• Isomeric SMILES: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=C(N=C32)NCCC4=CC=C(C=C4)CCC(=O)NCCNC(=O)CC5=CC=C(C=C5)N=[N+]=[N-])N)O)O