1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO-5-METHYL-BENZENE-5’MONOPHOSPHATE

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.

C-glycosyl compounds

Organic compounds

Organooxygen compounds

Carbohydrates and carbohydrate conjugates

Glycosyl compounds

Calculated Property

kind Value Source
logP 0.25 ALOGPS
logS -2.2 ALOGPS
Water Solubility 2.10e+00 g/l ALOGPS
logP 1.21 ChemAxon
IUPAC Name {[(2R,3S,5R)-5-(2,4-difluoro-5-methylphenyl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid ChemAxon
Traditional IUPAC Name [(2R,3S,5R)-5-(2,4-difluoro-5-methylphenyl)-3-hydroxyoxolan-2-yl]methoxyphosphonic acid ChemAxon
Molecular Weight 324.2145 ChemAxon
Monoisotopic Weight 324.057431134 ChemAxon
SMILES [H][C@]1(O)C[C@@]([H])(O[C@]1([H])COP(O)(O)=O)C1=CC(C)=C(F)C=C1F ChemAxon
Molecular Formula C12H15F2O6P ChemAxon
InChI InChI=1S/C12H15F2O6P/c1-6-2-7(9(14)3-8(6)13)11-4-10(15)12(20-11)5-19-21(16,17)18/h2-3,10-12,15H,4-5H2,1H3,(H2,16,17,18)/t10-,11+,12+/m0/s1 ChemAxon
InChIKey InChIKey=NMMWBGNJJMNAIJ-QJPTWQEYSA-N ChemAxon
Polar Surface Area (PSA) 96.22 ChemAxon
Refractivity 68.46 ChemAxon
Polarizability 27.37 ChemAxon
Rotatable Bond Count 4 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 3 ChemAxon
pKa (strongest acidic) 1.24 ChemAxon
pKa (strongest basic) -3.2 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 2 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • DNA polymerase kappa : in Human
  • Ribonuclease H : in Bacillus halodurans (strain ATCC BAA-125 / DSM 18197 / FERM 7344 / JCM 9153 / C-125)