Phosphoadenosine diphosphoribose

Base Information

• Chemical Name: Phosphoadenosine diphosphoribose
• CAS No.: 13552-81-3
• Molecular Formula: C15H24 N5 O17 P3
• Molecular Weight: 639.3
• DSSTox Substance ID: DTXSID801009853
• Mol file: 13552-81-3.mol

Synonyms:2'-P-5'-ADP-ribose;adenosine 2'-monophospho- 5'-diphosphoribose;phospho-ADP ribose;phosphoadenosine diphosphoribose;phosphoadenosine diphosphoribose, (beta-D-ribofuranose)-isomer

Chemical Property of Phosphoadenosine diphosphoribose

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1060.2°Cat760mmHg
• Flash Point: 595°C
• Density: 2.54g/cm³
• XLogP3: -7.2
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 11
• Exact Mass: 639.03800531
• Heavy Atom Count: 40
• Complexity: 1040

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)N
• Isomeric SMILES: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)OC[C@@H]4[C@H]([C@H](C(O4)O)O)O)N

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