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ADENINE SULFATE

CAT: 1489-A8320-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:1489-A8320-01Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6509-19-9
Purity
≥99.0%

Chemical Information

Sulfuric acid--7H-purin-6-amine--water (1/2/2)
CAS Number6509-19-9
PubChem CID44134512
IUPAC Namebis(7H-purin-6-amine);sulfuric acid;dihydrate
Molecular FormulaC10H16N10O6S
Molecular Weight404.37
Topological Polar Surface Area246
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count0
Heavy Atom Count27
Formal Charge0
Complexity209
SMILES
C1=NC2=NC=NC(=C2N1)N.C1=NC2=NC=NC(=C2N1)N.O.O.OS(=O)(=O)O
InChI
InChI=1S/2C5H5N5.H2O4S.2H2O/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);2*1H2
InChIKey
MKPCNMXYTMQZBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sulfuric acid--7H-purin-6-amine--water (1/2/2)
CAS: 6509-19-9
CID: 44134512
Formula: C10H16N10O6S
MW: 404.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight404.37
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count14
Rotatable Bond Count0
Exact Mass404.09749944
Monoisotopic Mass404.09749944
Topological Polar Surface Area246 Ų
Heavy Atom Count27
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 Count5
Compound Is CanonicalizedYes