3'-Deoxyadenosine 5'-diphosphate

Base Information

• Chemical Name: 3'-Deoxyadenosine 5'-diphosphate
• CAS No.: 13052-95-4
• Molecular Formula: C10H15N5O9P2
• UNII: J4JME5Y34G
• DSSTox Substance ID: DTXSID601249673
• Mol file: 13052-95-4.mol

Synonyms:3'-deoxyadenosine 5'-diphosphate;[(2~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl phosphono hydrogen phosphate;13052-95-4;Cordycepin, diphosphate;3'-dADP;J4JME5Y34G;SCHEMBL22498804;DTXSID601249673;3'-Deoxyadenosine 5'-(trihydrogen diphosphate);Adenosine 5'-(trihydrogen diphosphate), 3'-deoxy-;Adenosine, 3'-deoxy-, 5'-(trihydrogen pyrophosphate);[({[(2S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid;CUU

Chemical Property of 3'-Deoxyadenosine 5'-diphosphate

Chemical Property:

• XLogP3: -3.4
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 6
• Exact Mass: 411.03450107
• Heavy Atom Count: 26
• Complexity: 607

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)O
• Isomeric SMILES: C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)O