Adenosine 5'-diphosphate dipotassium salt

C10H13K2N5O10P2CAS 114702-55-5503.38 g/mol

Open in Covalent MOL file
NNNNOOPOO−OPOHOO−HOOHNH2K+K+
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C10H13K2N5O10P2
Molar mass
503.38 g/mol
Exact mass
502.9412 Da
logP
-9.00Crippen estimate
Polar surface area
238.3 Ų
H-bond donors / acceptors
4 / 13
Rotatable bonds
6
Stereocentres
R, R, S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
114702-55-5
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.[K+].[K+]
InChIKey
JSAWWJFMCDGNKL-IDIVVRGQSA-L
InChI
InChI=1S/C10H15N5O10P2.2K/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;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1

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Work with Adenosine 5'-diphosphate dipotassium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Adenosine diphosphate58-64-0Free acid Adenosine-5′-diphosphate disodium salt16178-48-6Salt Trisodium adenosine 5′-diphosphate2092-65-1Salt Sodium adenosine 5′-diphosphate20398-34-9Salt Adenosine 5′-(trihydrogen diphosphate), trilithium salt31008-64-7Salt

Similar compounds

Adenosine 5'-monophosphate sodium salt13474-03-877 % similar ATP disodium987-65-573 % similar Vidarabine phosphate29984-33-668 % similar Adenosine monophosphate61-19-868 % similar Adenosine 5′-monophosphate disodium4578-31-866 % similar Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)72003-83-966 % similar Adenosine 5'-monophosphate monohydrate18422-05-465 % similar 3′,5′-cAMP sodium salt37839-81-964 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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