(1-HYDROXYHEPTANE-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 0.15 ALOGPS
logS -1.4 ALOGPS
Water Solubility 1.10e+01 g/l ALOGPS
logP -0.035 ChemAxon
IUPAC Name (1-hydroxy-1-phosphonoheptyl)phosphonic acid ChemAxon
Traditional IUPAC Name 1-hydroxy-1-phosphonoheptylphosphonic acid ChemAxon
Molecular Weight 276.1611 ChemAxon
Monoisotopic Weight 276.052775954 ChemAxon
SMILES CCCCCCC(O)(P(O)(O)=O)P(O)(O)=O ChemAxon
Molecular Formula C7H18O7P2 ChemAxon
InChI InChI=1S/C7H18O7P2/c1-2-3-4-5-6-7(8,15(9,10)11)16(12,13)14/h8H,2-6H2,1H3,(H2,9,10,11)(H2,12,13,14) ChemAxon
InChIKey InChIKey=IJEGNOYPWRBKAE-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 135.29 ChemAxon
Refractivity 57.59 ChemAxon
Polarizability 23.73 ChemAxon
Rotatable Bond Count 7 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