5'-Amino-5'-deoxyadenosine p-toluenesulfonate salt

Base Information

• Chemical Name: 5'-Amino-5'-deoxyadenosine p-toluenesulfonate salt
• CAS No.: 81090-75-7
• Molecular Formula: C17H22N6O6S
• Molecular Weight: 438.464
• Hs Code.: 29389090
• ChEMBL ID: CHEMBL3392362
• DSSTox Substance ID: DTXSID40555928
• Mol file: 81090-75-7.mol

Synonyms:81090-75-7;5'-Amino-5'-deoxyadenosine p-toluenesulfonate salt;(2R,3S,4R,5R)-2-(aminomethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol;4-methylbenzenesulfonic acid;CHEMBL3392362;DTXSID40555928;HMS3260A14;Tox21_500086;LP00086;NCGC00186048-01;NCGC00260771-01;5'-Amino-5'-deoxyadenosine p-toluenesulfonate salt, solid;(2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(aminomethyl)tetrahydrofuran-3,4-diol 4-methylbenzenesulfonate

Chemical Property of 5'-Amino-5'-deoxyadenosine p-toluenesulfonate salt

Chemical Property:

• Boiling Point: 815.9oC at 760 mmHg
• Flash Point: 447.2oC
• PSA: 208.08000
• LogP: 1.59040
• Storage Temp.: −20°C
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 3
• Exact Mass: 438.13215362
• Heavy Atom Count: 30
• Complexity: 541

Purity/Quality:

98% ^*data from raw suppliers

5'-AMINO-5'-DEOXYADENOSINE PARA-TOLUENESULFONATE SALT 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CN)O)O)N
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)O)N