2,3-Tpaatp

Base Information

• Chemical Name: 2,3-Tpaatp
• CAS No.: 120218-67-9
• Molecular Formula: C16H15 N11 O19 P3
• Molecular Weight: 758.273883
• Mol file: 120218-67-9.mol

Synonyms:2',3'-O-(2,4,6-trinitrophenyl) 8-azido-ATP;2,3-TPAATP;O(2',3')-(2,4,6-trinitrophenyl)-8-azidoadenosine triphosphate;TNP-8-azido-ATP

Chemical Property of 2,3-Tpaatp

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 476.60000
• Density: g/cm³
• LogP: 2.44236
• XLogP3: -3.6
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 9
• Exact Mass: 757.97585328
• Heavy Atom Count: 49
• Complexity: 1660

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=CC(=C(C12OC3C(OC(C3O2)N4C5=NC=NC(=C5N=C4N=[N+]=[N-])N)COP(=O)([O-])OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
• Isomeric SMILES: C1C(=CC(=C(C12O[C@@H]3[C@H](O[C@H]([C@@H]3O2)N4C5=NC=NC(=C5N=C4N=[N+]=[N-])N)COP(=O)([O-])OP(=O)(O)OP(=O)(O)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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