Adenosine, 5'-(4-methylbenzenesulfonate)


Chemical Name: Adenosine, 5'-(4-methylbenzenesulfonate)
CAS Number: 5135-30-8
Product Number: AG006WIO(AGN-PC-0SAC0R)
Synonyms:
MDL No:
Molecular Formula: C17H19N5O6S
Molecular Weight: 421.4277

Identification/Properties


Properties
MP:
151-153 °C
BP:
760.1°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.6460 (estimate)
Computed Properties
Molecular Weight:
421.428g/mol
XLogP3:
-0.4
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
5
Exact Mass:
421.106g/mol
Monoisotopic Mass:
421.106g/mol
Topological Polar Surface Area:
171A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
670
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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