diammonium hydrate hydrogen phosphite

• ChemBase ID: 107531
• Molecular Formular: H11N2O4P
• Molecular Mass: 134.072101
• Monoisotopic Mass: 134.04564347
• SMILES: [NH4+].[NH4+].O.OP([O-])[O-]
• Canonical SMILES: [O-]P(O)[O-].[NH4+].[NH4+].O
• InChI: InChI=1S/2H3N.HO3P.H2O/c;;1-4(2)3;/h2*1H3;1H;1H2/q;;-2;/p+2
• InChIKey: QRPQSXADXGIHAU-UHFFFAOYSA-P

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium hydrate hydrogen phosphite
• IUPAC Traditional name: diammonium hydrate hydrogen phosphite
• Synonyms: AMMONIUM PHOSPHITE

Database IDs

• CAS Number: 51503-61-8
• PubChem SID: 162093658
• PubChem CID: 25021251

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