Products for Research Use Only

Adenine hemisulfate

CAT: 0127-BUP19721Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP19721Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
321-30-2
Synonyms
Diadenine sulphate, Adenine sulfate, Adeninsulfat
Purity
=98%
Smiles
OS(O)(=O)=O.Nc1ncnc2[nH]cnc12.Nc1ncnc2[nH]cnc12

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...
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

Popular Products