$l^{2}-lead(2+) ion 1-(phosphonatooxy)propan-1-ol

• ChemBase ID: 110953
• Molecular Formular: C3H7O5PPb
• Molecular Mass: 361.258441
• Monoisotopic Mass: 361.97976195
• SMILES: [Pb+2].CCC(O)OP(=O)([O-])[O-]
• Canonical SMILES: CCC(OP(=O)([O-])[O-])O.[Pb+2]
• InChI: InChI=1S/C3H9O5P.Pb/c1-2-3(4)8-9(5,6)7;/h3-4H,2H2,1H3,(H2,5,6,7);/q;+2/p-2
• InChIKey: IGLSIDKWWHNUNA-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: $l^{2}-lead(2+) ion 1-(phosphonatooxy)propan-1-ol
• IUPAC Traditional name: $l^{2}-lead(2+) ion 1-(phosphonatooxy)propan-1-ol
• Synonyms: PROPANEDIOL PHOSPHATE LEAD SALT

Database IDs

• PubChem SID: 162106499
• PubChem CID: 44135693

CALCULATED PROPERTIES

• Acid pKa: 1.48007
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7601075
• LogD (pH = 7.4): -3.634624
• Log P: -0.35573816
• Molar Refractivity: 27.3037 cm^3
• Polarizability: 11.882653 Å^3
• Polar Surface Area: 92.65 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05217152

MP Biomedicals Rare Chemical collection