N-Acetyl-3'-O-acetyl-2'-deoxyadenosine 5'-(dihydrogen phosphate)

Base Information

• Chemical Name: N-Acetyl-3'-O-acetyl-2'-deoxyadenosine 5'-(dihydrogen phosphate)
• CAS No.: 51246-81-2
• Molecular Formula: C14H18N5O8P
• Molecular Weight: 415.299
• DSSTox Substance ID: DTXSID60558431
• Wikidata: Q82440735
• Mol file: 51246-81-2.mol

Synonyms:51246-81-2;DTXSID60558431;N6,3'-O-DIACETYL-2'-DEOXYADENOSINE 5'-MO NOPHOSPHATE;{[(2R,3S,5R)-3-(acetyloxy)-5-(6-acetamido-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid;N-Acetyl-3'-O-acetyl-2'-deoxyadenosine 5'-(dihydrogen phosphate);51246-82-3

Chemical Property of N-Acetyl-3'-O-acetyl-2'-deoxyadenosine 5'-(dihydrogen phosphate)

Chemical Property:

• XLogP3: -2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 415.08929955
• Heavy Atom Count: 28
• Complexity: 647

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NC1=C2C(=NC=N1)N(C=N2)C3CC(C(O3)COP(=O)(O)O)OC(=O)C
• Isomeric SMILES: CC(=O)NC1=C2C(=NC=N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)OC(=O)C