9-(2-Deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine

Base Information

• Chemical Name: 9-(2-Deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine
• CAS No.: 130699-78-4
• Molecular Formula: C12H19 N6 O12 P3
• Molecular Weight: 532.233543
• DSSTox Substance ID: DTXSID90156686
• Wikidata: Q83024812
• Mol file: 130699-78-4.mol

Synonyms:6edDTP;9-(2-deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine

Chemical Property of 9-(2-Deoxy-5-O-triphospho-beta-ribofuranosyl)-N(6),N(6)-ethano-2,6-diaminopurine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 986.2°Cat760mmHg
• Flash Point: 550.2°C
• PSA: 292.07000
• Density: 2.54g/cm³
• LogP: -0.78470
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 9
• Exact Mass: 532.02738106
• Heavy Atom Count: 33
• Complexity: 875

Purity/Quality:

99% ，98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN1C2=NC(=NC3=C2N=CN3C4CC(C(O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
• Isomeric SMILES: C1CN1C2=NC(=NC3=C2N=CN3[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N