Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.

Purine ribonucleoside diphosphates

Organic compounds

Nucleosides, nucleotides, and analogues

Purine nucleotides

Purine ribonucleotides

Calculated Property

kind Value Source
logP -1 ALOGPS
logS -2.1 ALOGPS
Water Solubility 3.62e+00 g/l ALOGPS
logP -2.7 ChemAxon
IUPAC Name {[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid ChemAxon
Traditional IUPAC Name 2′-deoxyinosine ChemAxon
Molecular Weight 412.1865 ChemAxon
Monoisotopic Weight 412.018515712 ChemAxon
SMILES O[C@H]1C[C@@H](O[C@@H]1CO[P@@](O)(=O)OP(O)(O)=O)N1C=NC2=C1NC=NC2=O ChemAxon
Molecular Formula C10H14N4O10P2 ChemAxon
InChI InChI=1S/C10H14N4O10P2/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)23-6(5)2-22-26(20,21)24-25(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,11,12,16)(H2,17,18,19)/t5-,6+,7+/m0/s1 ChemAxon
Polar Surface Area (PSA) 202.03 ChemAxon
Refractivity 81.13 ChemAxon
Polarizability 33.01 ChemAxon
Rotatable Bond Count 6 ChemAxon
H Bond Acceptor Count 11 ChemAxon
H Bond Donor Count 5 ChemAxon
pKa (strongest acidic) 1.73 ChemAxon
pKa (strongest basic) 2.67 ChemAxon
Physiological Charge -3 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 0 ChemAxon
Rule of Five 0 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 1 ChemAxon