(1-HYDROXYDODECANE-1,1-DIYL)BIS(PHOSPHONIC ACID)

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.

Bisphosphonates

Organic compounds

Organophosphorus compounds

Organic phosphonic acids and derivatives

Bisphosphonates

Calculated Property

kind Value Source
logP 1.57 ALOGPS
logS -2 ALOGPS
Water Solubility 3.11e+00 g/l ALOGPS
logP 2.07 ChemAxon
IUPAC Name (1-hydroxy-1-phosphonododecyl)phosphonic acid ChemAxon
Traditional IUPAC Name 1-hydroxy-1-phosphonododecylphosphonic acid ChemAxon
Molecular Weight 346.294 ChemAxon
Monoisotopic Weight 346.131026274 ChemAxon
SMILES CCCCCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O ChemAxon
Molecular Formula C12H28O7P2 ChemAxon
InChI InChI=1S/C12H28O7P2/c1-2-3-4-5-6-7-8-9-10-11-12(13,20(14,15)16)21(17,18)19/h13H,2-11H2,1H3,(H2,14,15,16)(H2,17,18,19) ChemAxon
InChIKey InChIKey=KKVZONPEMODBBG-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 135.29 ChemAxon
Refractivity 80.6 ChemAxon
Polarizability 34.83 ChemAxon
Rotatable Bond Count 12 ChemAxon
H Bond Acceptor Count 7 ChemAxon
H Bond Donor Count 5 ChemAxon
pKa (strongest acidic) 0.69 ChemAxon
pKa (strongest basic) -5.2 ChemAxon
Physiological Charge -2 ChemAxon
Number of Rings 0 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Geranylgeranyl pyrophosphate synthase : in Human