1,N(6)-Etheno-2'-deoxyadenosine 5'-triphosphate

Base Information

• Chemical Name: 1,N(6)-Etheno-2'-deoxyadenosine 5'-triphosphate
• CAS No.: 81004-54-8
• Molecular Formula: C12H16 N5 O12 P3
• Molecular Weight: 515.24
• DSSTox Substance ID: DTXSID80230848
• Nikkaji Number: J2.983.298F
• Wikidata: Q83111586
• Mol file: 81004-54-8.mol

Synonyms:1,N(6)-etheno-2'-deoxyadenosine 5'-triphosphate;epsilon dATP

Chemical Property of 1,N(6)-Etheno-2'-deoxyadenosine 5'-triphosphate

Chemical Property:

• PSA: 266.72000
• Density: 2.42g/cm³
• LogP: 0.07070
• XLogP3: -3.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 515.00083196
• Heavy Atom Count: 32
• Complexity: 847

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=NC3=C2N=CN4C3=NC=C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=CN4C3=NC=C4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O