disodium pentahydrate hydrogen phosphite

• ChemBase ID: 158762
• Molecular Formular: H11Na2O8P
• Molecular Mass: 216.035841
• Monoisotopic Mass: 215.9986925
• SMILES: O.O.O.O.O.OP([O-])[O-].[Na+].[Na+]
• Canonical SMILES: [O-]P(O)[O-].O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/2Na.HO3P.5H2O/c;;1-4(2)3;;;;;/h;;1H;5*1H2/q2*+1;-2
• InChIKey: FBKBMXXJECMLCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium pentahydrate hydrogen phosphite
• IUPAC Traditional name: disodium pentahydrate hydrogen phosphite
• Synonyms: di-Sodium hydrogen phosphite; Sodium phosphite dibasic pentahydrate; 亚磷酸氢二钠; 亚磷酸钠 五水合物

Database IDs

• CAS Number: 13517-23-2
• MDL Number: MFCD00150354
• PubChem SID: 162252898; 24845719
• PubChem CID: 22463763

CALCULATED PROPERTIES

• Acid pKa: 17.923574
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2778001
• LogD (pH = 7.4): -1.2778
• Log P: -1.2778
• Molar Refractivity: 12.2864 cm^3
• Polarizability: 5.1036735 Å^3
• Polar Surface Area: 66.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98%
• Impurities: ≤0.001% heavy metals (as Pb)
• Cation Traces: Fe: ≤10 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Linear Formula: Na2HPO3 · 5H2O