Inosine, 6-S-[(4-nitrophenyl)methyl]-6-thio-


Chemical Name: Inosine, 6-S-[(4-nitrophenyl)methyl]-6-thio-
CAS Number: 38048-32-7
Product Number: AG003U66(AGN-PC-0O9K8H)
Synonyms:
MDL No:
Molecular Formula: C17H17N5O6S
Molecular Weight: 419.4118

Identification/Properties


Properties
MP:
187-190 °C(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.6460 (estimate)
Solubility:
0.1 M HCl: slightly soluble
Computed Properties
Molecular Weight:
419.412g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
10
Rotatable Bond Count:
5
Exact Mass:
419.09g/mol
Monoisotopic Mass:
419.09g/mol
Topological Polar Surface Area:
185A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
577
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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