(1-HYDROXYNONANE-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 0.7 ALOGPS
logS -1.6 ALOGPS
Water Solubility 8.20e+00 g/l ALOGPS
logP 0.81 ChemAxon
IUPAC Name (1-hydroxy-1-phosphonononyl)phosphonic acid ChemAxon
Traditional IUPAC Name 1-hydroxy-1-phosphonononylphosphonic acid ChemAxon
Molecular Weight 304.2143 ChemAxon
Monoisotopic Weight 304.084076082 ChemAxon
SMILES CCCCCCCCC(O)(P(O)(O)=O)P(O)(O)=O ChemAxon
Molecular Formula C9H22O7P2 ChemAxon
InChI InChI=1S/C9H22O7P2/c1-2-3-4-5-6-7-8-9(10,17(11,12)13)18(14,15)16/h10H,2-8H2,1H3,(H2,11,12,13)(H2,14,15,16) ChemAxon
InChIKey InChIKey=COHUUYPEYRMWTH-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 135.29 ChemAxon
Refractivity 66.79 ChemAxon
Polarizability 27.94 ChemAxon
Rotatable Bond Count 9 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