Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as purine ribonucleoside 2′,5′-bisphosphates. These are purine ribobucleotides with one phosphate group attached to 2′ and 5′ hydroxyl groups of the ribose moiety.

Purine ribonucleoside 2′,5′-bisphosphates

Organic compounds

Nucleosides, nucleotides, and analogues

Purine nucleotides

Purine ribonucleotides

Calculated Property

kind Value Source
logP -1.6 ALOGPS
logS -2.1 ALOGPS
Water Solubility 3.29e+00 g/l ALOGPS
logP -6.2 ChemAxon
IUPAC Name {[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)oxolan-2-yl]methoxy}phosphonic acid ChemAxon
Traditional IUPAC Name adenosine-2′-5′-diphosphate ChemAxon
Molecular Weight 427.2011 ChemAxon
Monoisotopic Weight 427.029414749 ChemAxon
SMILES NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](COP(O)(O)=O)[C@H](O)[C@H]1OP(O)(O)=O ChemAxon
Molecular Formula C10H15N5O10P2 ChemAxon
InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7+,10+/m0/s1 ChemAxon
Polar Surface Area (PSA) 232.6 ChemAxon
Refractivity 84.94 ChemAxon
Polarizability 34.02 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 12 ChemAxon
H Bond Donor Count 6 ChemAxon
pKa (strongest acidic) 0.58 ChemAxon
pKa (strongest basic) 4.89 ChemAxon
Physiological Charge -4 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 1 ChemAxon

Target within organism

  • Eosinophil cationic protein : in Human
  • Ribonuclease pancreatic : in Human
  • Non-secretory ribonuclease : in Human