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DADP Disodium Salt

CAT: 0936-dNDP005-0.1Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0936-dNDP005-0.1Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
72003-83-9
Storage Conditions
<-20°C. Avoid direct sunlight and keep in dry place

Chemical Information

adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, disodium salt
CAS Number72003-83-9
PubChem CID44150064
IUPAC Namedisodium;[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate
Molecular FormulaC10H13N5Na2O9P2
Molecular Weight455.17
Topological Polar Surface Area218
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity597
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(N=CN=C32)N)COP(=O)([O-])OP(=O)(O)[O-])O.[Na+].[Na+]
InChI
InChI=1S/C10H15N5O9P2.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19;;/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19);;/q;2*+1/p-2/t5-,6+,7+;;/m0../s1
InChIKey
QPOQRKUWBIAHBO-OJSHLMAWSA-L
Chemical Structure
2D Structure
2D structure of adenosine 5'-(trihydrogen diphosphate), 2'-deoxy-, disodium salt
CAS: 72003-83-9
CID: 44150064
Formula: C10H13N5Na2O9P2
MW: 455.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.17
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass454.99838957
Monoisotopic Mass454.99838957
Topological Polar Surface Area218 Ų
Heavy Atom Count28
Formal Charge0
Complexity597
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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