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Adenosine-5'-diphosphate Sodium Salt from Bacterial Source

CAT: 0203-01652-24Size: 100 mgDry Ice: YesHazardous: No
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CAT#:0203-01652-24Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20398-34-9
Purity
≧ 90.0% (HPLC)
Storage Conditions
F (Freezer)
Grade
CP (Reagent)

Chemical Information

Adenosine 5'-diphosphate sodium salt

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CAS Number20398-34-9
PubChem CID12797869
IUPAC Nametrisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate
Molecular FormulaC10H12N5Na3O10P2
Molecular Weight493.15
Topological Polar Surface Area241
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity618
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])[O-])O)O)N.[Na+].[Na+].[Na+]
InChI
InChI=1S/C10H15N5O10P2.3Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1
InChIKey
KWEUUBDPVVHQAL-MSQVLRTGSA-K
Chemical Structure
2D Structure
2D structure of Adenosine 5'-diphosphate sodium salt
CAS: 20398-34-9
CID: 12797869
Formula: C10H12N5Na3O10P2
MW: 493.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight493.15
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Exact Mass492.97524844
Monoisotopic Mass492.97524844
Topological Polar Surface Area241 Ų
Heavy Atom Count30
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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