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Divicine Sulfate

CAT: 0572-TRC-D494458-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D494458-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5348-48-1
Synonyms
2,6-Diamino-4,5-Pyrimidinediol Sulfate; 2,6-Diamino-3,6-dihydro-4,5-pyrimidinedione Sulfate;
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
NC1=NC(=O)C(=C(N)N1)O.NC2=NC(=O)C(=C(N)N2)O.OS(=O)(=O)O
Molecular Formula
C4H6N4O2 . x(H2O4S)
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Divicine Sulfate
CAS Number5348-48-1
PubChem CID169439251
IUPAC Namebis(2,4-diamino-5-hydroxy-1H-pyrimidin-6-one);sulfuric acid
Molecular FormulaC8H14N8O8S
Molecular Weight382.31
Topological Polar Surface Area310
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count0
Heavy Atom Count25
Formal Charge0
Complexity323
SMILES
C1(=C(N=C(NC1=O)N)N)O.C1(=C(N=C(NC1=O)N)N)O.OS(=O)(=O)O
InChI
InChI=1S/2C4H6N4O2.H2O4S/c2*5-2-1(9)3(10)8-4(6)7-2;1-5(2,3)4/h2*9H,(H5,5,6,7,8,10);(H2,1,2,3,4)
InChIKey
CKNOXJJKFIPPBD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Divicine Sulfate
CAS: 5348-48-1
CID: 169439251
Formula: C8H14N8O8S
MW: 382.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.31
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count12
Rotatable Bond Count0
Exact Mass382.06553061
Monoisotopic Mass382.06553061
Topological Polar Surface Area310 Ų
Heavy Atom Count25
Formal Charge0
Complexity323
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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CatalogName
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