Adenosine 5'-(tetrahydrogen triphosphate), 2'(or 3')-O-(2,4,6-trinitrophenyl)-

Base Information

• Chemical Name: Adenosine 5'-(tetrahydrogen triphosphate), 2'(or 3')-O-(2,4,6-trinitrophenyl)-
• CAS No.: 61368-63-6
• Molecular Formula: C16H12 N8 O19 P3
• Molecular Weight: 1001.24
• Wikidata: Q25304271
• Pharos Ligand ID: XZKU6SWUQ1BA
• Mol file: 61368-63-6.mol

Synonyms:2',3'-O-(2,4,6-trinitro-cyclohexadienylidine)adenosine 5'-triphosphate;MgTNP-ATP

Chemical Property of Adenosine 5'-(tetrahydrogen triphosphate), 2'(or 3')-O-(2,4,6-trinitrophenyl)-

Chemical Property:

• Boiling Point: 1097.7oC at 760 mmHg
• Flash Point: 617.7oC
• PSA: 436.98000
• LogP: 6.65280
• Storage Temp.: −20°C
• Solubility.: H2O: >20 mg/mL
• XLogP3: -4.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 20
• Rotatable Bond Count: 7
• Exact Mass: 712.94315618
• Heavy Atom Count: 46
• Complexity: 1710

Purity/Quality:

98%,99%, ^*data from raw suppliers

TNP-ATPtriethylammoniumsalt ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C2(C1[N+](=O)[O-])OC3=C(OC(=C3O2)[N+]4=C5C(C(=NC=N5)N)N=C4)COP(=O)(O)OP(=O)(O)OP(=O)([O-])[O-])[N+](=O)[O-])[N+](=O)[O-]