Pgitn

Base Information

• Chemical Name: Pgitn
• CAS No.: 125009-80-5
• Molecular Formula: C40H42 N5 O6 P
• Molecular Weight: 719.77
• DSSTox Substance ID: DTXSID60924995
• Mol file: 125009-80-5.mol

Synonyms:PGITN;phthaloyl-Gly(P)-Ile-Trp-NHBzl;phthaloyl-glycyl(P)-isoleucyl-tryptophyl-benzylamide;PP 607;PP607

Chemical Property of Pgitn

Chemical Property:

• Boiling Point: °Cat760mmHg
• PKA: 13.28±0.46(Predicted)
• Flash Point: °C
• PSA: 163.00000
• Density: 1.303g/cm³
• LogP: 7.73950
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 16
• Exact Mass: 719.28727107
• Heavy Atom Count: 52
• Complexity: 1260

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(=O)C(CC1=CNC2=CC=CC=C21)NCC3=CC=CC=C3)NP(=O)(CN4C(=O)C5=CC=CC=C5C4=O)OCC6=CC=CC=C6
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NCC3=CC=CC=C3)NP(=O)(CN4C(=O)C5=CC=CC=C5C4=O)OCC6=CC=CC=C6