2′,3′-Dideoxyadenosine-5′-Triphosphate

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as purine 2′,3′-dideoxyribonucleoside triphosphates. These are purine nucleotides with triphosphate group linked to the ribose moiety lacking a hydroxyl group at positions 2 and 3.

Purine 2′,3′-dideoxyribonucleoside triphosphates

Organic compounds

Nucleosides, nucleotides, and analogues

Purine nucleotides

Purine deoxyribonucleotides

Calculated Property

kind Value Source
logP -0.44 ALOGPS
logS -2.2 ALOGPS
Water Solubility 3.05e+00 g/l ALOGPS
logP -4.6 ChemAxon
IUPAC Name ({[({[(2S,5R)-5-(6-amino-9H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid ChemAxon
Traditional IUPAC Name ({[(2S,5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid ChemAxon
Molecular Weight 475.1822 ChemAxon
Monoisotopic Weight 475.005915915 ChemAxon
SMILES NC1=NC=NC2=C1N=CN2[C@H]1CC[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O1 ChemAxon
Molecular Formula C10H16N5O11P3 ChemAxon
InChI InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1 ChemAxon
InChIKey InChIKey=OAKPWEUQDVLTCN-NKWVEPMBSA-N ChemAxon
Polar Surface Area (PSA) 238.67 ChemAxon
Refractivity 93.51 ChemAxon
Polarizability 36.83 ChemAxon
Rotatable Bond Count 8 ChemAxon
H Bond Acceptor Count 12 ChemAxon
H Bond Donor Count 5 ChemAxon
pKa (strongest acidic) 0.9 ChemAxon
pKa (strongest basic) 5.01 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

Target within organism

  • DNA nucleotidylexotransferase : in Human