S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] propanethioate;lithium


Chemical Name: S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] propanethioate;lithium
CAS Number: 108321-21-7
Product Number: AG008Z9H(AGN-PC-00URYW)
Synonyms:
MDL No: MFCD00079248
Molecular Formula: C24H39LiN7O17P3S
Molecular Weight: 829.5304

Identification/Properties


Computed Properties
Molecular Weight:
830.537g/mol
Hydrogen Bond Donor Count:
9
Hydrogen Bond Acceptor Count:
22
Rotatable Bond Count:
21
Exact Mass:
830.157g/mol
Monoisotopic Mass:
830.157g/mol
Topological Polar Surface Area:
389A^2
Heavy Atom Count:
53
Formal Charge:
0
Complexity:
1400
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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