2′-Deoxyadenosine 5′-Triphosphate

Status : experimental

Chemical Classification

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

Purine 2′-deoxyribonucleoside triphosphates

Organic compounds

Nucleosides, nucleotides, and analogues

Purine nucleotides

Purine deoxyribonucleotides

Calculated Property

kind Value Source
logP -0.66 ALOGPS
logS -2.1 ALOGPS
Water Solubility 3.83e+00 g/l ALOGPS
logP -5.3 ChemAxon
IUPAC Name ({[({[(2S,3R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid ChemAxon
Traditional IUPAC Name ({[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid ChemAxon
Molecular Weight 491.1816 ChemAxon
Monoisotopic Weight 491.000830537 ChemAxon
SMILES NC1=NC=NC2=C1N=CN2[C@H]1C[C@@H](O)[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O1 ChemAxon
Molecular Formula C10H16N5O12P3 ChemAxon
InChI InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7-/m1/s1 ChemAxon
InChIKey InChIKey=SUYVUBYJARFZHO-DSYKOEDSSA-N ChemAxon
Polar Surface Area (PSA) 258.9 ChemAxon
Refractivity 94.3 ChemAxon
Polarizability 37.5 ChemAxon
Rotatable Bond Count 8 ChemAxon
H Bond Acceptor Count 13 ChemAxon
H Bond Donor Count 6 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 primase/helicase : in Enterobacteria phage T7
  • DNA polymerase beta : in Human
  • Ribonucleoside-diphosphate reductase 2 subunit alpha : in Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
  • Anaerobic ribonucleoside-triphosphate reductase : in Enterobacteria phage T4
  • Protein RecA : in Mycobacterium smegmatis (strain ATCC 700084 / mc(2)155)
  • Protein RecA : in Mycobacterium paratuberculosis (strain ATCC BAA-968 / K-10)