2,6-Diamino-(S)-9-[2-(Phosphonomethoxy)Propyl]Purine

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as 6-aminopurines. These are purines that carry an amino group at position 6. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

6-aminopurines

Organic compounds

Organoheterocyclic compounds

Imidazopyrimidines

Purines and purine derivatives

Calculated Property

kind Value Source
logP -0.49 ALOGPS
logS -2.1 ALOGPS
Water Solubility 2.72e+00 g/l ALOGPS
logP -3.6 ChemAxon
IUPAC Name ({[(2S)-1-(2,6-diamino-9H-purin-9-yl)propan-2-yl]oxy}methyl)phosphonate ChemAxon
Traditional IUPAC Name {[(2S)-1-(2,6-diaminopurin-9-yl)propan-2-yl]oxy}methylphosphonate ChemAxon
Molecular Weight 300.2111 ChemAxon
Monoisotopic Weight 300.073589446 ChemAxon
SMILES C[C@@H](CN1C=NC2=C1N=C(N)N=C2N)OCP([O-])([O-])=O ChemAxon
Molecular Formula C9H13N6O4P ChemAxon
InChI InChI=1S/C9H15N6O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H2,16,17,18)(H4,10,11,13,14)/p-2/t5-/m0/s1 ChemAxon
InChIKey InChIKey=LWEKFDHXJHJYGB-YFKPBYRVSA-L ChemAxon
Polar Surface Area (PSA) 168.06 ChemAxon
Refractivity 69.94 ChemAxon
Polarizability 26.83 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 9 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 1.36 ChemAxon
pKa (strongest basic) 6.01 ChemAxon
Physiological Charge -1 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 0 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Purine nucleoside phosphorylase : in Human