3'-Bis22ATP

Base Information

• Chemical Name: 3'-Bis22ATP
• CAS No.: 104693-47-2
• Molecular Formula: C38H60 N12 O30 P6 S2
• Molecular Weight: 0
• Mol file: 104693-47-2.mol

Synonyms:3'-bis22ATP;3,3'-dithiobis(3'-O-6-(propionylamino)hexanoyl)adenosine 5'-triphosphate

Chemical Property of 3'-Bis22ATP

Chemical Property:

• PSA: 551.22000
• Density: 1.87g/cm3
• LogP: -0.43960
• XLogP3: -7
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 29
• Rotatable Bond Count: 31
• Exact Mass: 1178.27285034
• Heavy Atom Count: 76
• Complexity: 2460

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)NCCCCCC(=O)OC1C(OC(C1O)N2C=NC3=C(N=CN(C32)SSN4C=NC(=C5C4N(C=N5)C6C(C(C(O6)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCNC(=O)CC)O)N)N)CO
• Isomeric SMILES: CCC(=O)NCCCCCC(=O)O[C@@H]1[C@H](O[C@@H]([C@@H]1O)N2C=NC3=C(N=CN(C32)SSN4C=NC(=C5C4N(C=N5)[C@@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCNC(=O)CC)O)N)N)CO