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Adenine hemisulfate

CAT: 0931-T6369-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T6369-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
321-30-2
Target
DNA/RNA Synthesis, Endogenous Metabolite
Related Pathways
Metabolism, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Purity
0.9978
Bioactivity
Adenine hemisulfate is a purine-based nucleobase and an essential chemical component of DNA and RNA. It plays a key role in cellular respiration, the formation of ATP and coenzymes such as NAD and FAD, as well as in protein synthesis. It is commonly used to induce animal models of chronic liver and kidney injury and hyperuricemia.
Smiles
OS(O)(=O)=O.Nc1ncnc2[nH]cnc12.Nc1ncnc2[nH]cnc12
Molecular Formula
2 (C5H5N5) ·H2SO4
Molecular Weight
368.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adenine sulfate
CAS Number321-30-2
PubChem CID9449
IUPAC Namebis(7H-purin-6-amine);sulfuric acid
Molecular FormulaC10H12N10O4S
Molecular Weight368.34
Topological Polar Surface Area244
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity209
SMILES
C1=NC2=NC=NC(=C2N1)N.C1=NC2=NC=NC(=C2N1)N.OS(=O)(=O)O
InChI
InChI=1S/2C5H5N5.H2O4S/c2*6-4-3-5(9-1-7-3)10-2-8-4;1-5(2,3)4/h2*1-2H,(H3,6,7,8,9,10);(H2,1,2,3,4)
InChIKey
LQXHSCOPYJCOMD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adenine sulfate
CAS: 321-30-2
CID: 9449
Formula: C10H12N10O4S
MW: 368.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.34
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count12
Rotatable Bond Count0
Exact Mass368.07637008
Monoisotopic Mass368.07637008
Topological Polar Surface Area244 Ų
Heavy Atom Count25
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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