N-[(6E)-3-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexadecanamide

Base Information

• Chemical Name: N-[(6E)-3-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexadecanamide
• CAS No.: 74240-44-1
• Molecular Formula: C35H61 N11 O9
• Molecular Weight: 779.93
• Mol file: 74240-44-1.mol

Synonyms:palmitoyl tuberactinamine N;PTAN

Chemical Property of N-[(6E)-3-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-6-[(carbamoylamino)methylidene]-9,12-bis(hydroxymethyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclohexadec-15-yl]hexadecanamide

Chemical Property:

• PKA: 9.87±0.70(Predicted)
• PSA: 340.02000
• Density: 1.42g/cm³
• LogP: 1.91530
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 19
• Exact Mass: 779.46537257
• Heavy Atom Count: 55
• Complexity: 1360

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCC(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(NC(=O)C(NC1=O)CO)CO)C2CCN=C(N2)N
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)NC1CNC(=O)C(NC(=O)/C(=C\NC(=O)N)/NC(=O)C(NC(=O)C(NC1=O)CO)CO)C2CCN=C(N2)N