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Adenine sulfate

CAT: 0862-GE5051-5gSize: 5 gDry Ice: NoHazardous: No
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CAT#:0862-GE5051-5gSize:5 g
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CAS Number
321-30-2
EC Number
206-286-5
MDL Number
MFCD00213655
HS Code
2933599590
Purity
99.00%
Molecular Formula
C5H5N5 · 1/2H2SO4
Molecular Weight
368.34
Storage Conditions
+20°C
Hazardous Class
Not hazardous

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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