Phosphoglyceroyl-ATP

Base Information

• Chemical Name: Phosphoglyceroyl-ATP
• CAS No.: 124199-67-3
• Molecular Formula: C13H21N5O19P4
• Molecular Weight: 675.223
• DSSTox Substance ID: DTXSID80154237
• Wikidata: Q83021392
• Mol file: 124199-67-3.mol

Synonyms:(PG-ATP)n;oligo-phosphoglyceroyl-ATP;oligophosphoglyceroyl-ATP;PG-ATP;phosphoglyceroyl-adenosine triphosphate;phosphoglyceroyl-ATP;purinogen

Chemical Property of Phosphoglyceroyl-ATP

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1073.1°Cat760mmHg
• Flash Point: 602.8°C
• PSA: 400.43000
• Density: 2.48g/cm³
• LogP: -0.21190
• XLogP3: -6.3
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 15
• Exact Mass: 674.97812145
• Heavy Atom Count: 41
• Complexity: 1130

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OCCOC(=O)O)O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OCCOC(=O)O)O)N