Adenosine Monotungstate

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as purine nucleosides. These are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety.

Purine nucleosides

Organic compounds

Nucleosides, nucleotides, and analogues

Purine nucleosides

Calculated Property

kind Value Source
logP -1.2 ALOGPS
logS -1.5 ALOGPS
Water Solubility 1.58e+01 g/l ALOGPS
logP -3 ChemAxon
IUPAC Name {[(2S,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(oxo)tungstendiol ChemAxon
Traditional IUPAC Name adenosine monotungstate ChemAxon
Molecular Weight 500.09 ChemAxon
Monoisotopic Weight 500.04025538 ChemAxon
SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO[W](O)(O)=O)[C@H](O)[C@H]1O ChemAxon
Molecular Formula C10H14N5O7W ChemAxon
InChI InChI=1S/C10H12N5O4.2H2O.O.W/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;;;;/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13);2*1H2;;/q-1;;;;+3/p-2/t4-,6-,7+,10+;;;;/m0…./s1 ChemAxon
InChIKey InChIKey=FJSJQPRHXPUMLC-LRDMJOKZSA-L ChemAxon
Polar Surface Area (PSA) 186.07 ChemAxon
Refractivity 68.55 ChemAxon
Polarizability 30.45 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 10 ChemAxon
H Bond Donor Count 5 ChemAxon
pKa (strongest acidic) 12.3 ChemAxon
pKa (strongest basic) 4.99 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Bis(5′-adenosyl)-triphosphatase : in Human