dicalcium phosphate

• ChemBase ID: 126972
• Molecular Formular: Ca2O4P+
• Molecular Mass: 175.127361
• Monoisotopic Mass: 174.87860207
• SMILES: [Ca+2].[Ca+2].[O-]P(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[Ca+2].[Ca+2]
• InChI: InChI=1S/2Ca.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+2;/p-3
• InChIKey: NEFBYIFKOOEVPA-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: dicalcium phosphate
• IUPAC Traditional name: dicalcium phosphate
• Synonyms: Calcium monohydrogen phosphate; Phosphoric acid, calcium salt (1:1); Dicalcium phosphate

Database IDs

• CAS Number: 7757-93-9
• PubChem SID: 162221295
• PubChem CID: 104805; 21584077
• Chemspider ID: 10605753
• Unique Ingredient Identifier: L11K75P92J
• Wikipedia Title: Dicalcium_phosphate

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 0.02 g/100 mL in water
• Apperance: white powder
• Flash Point: Non-flammable
• Density: 2.929 g/cm^3

Safety Information

• EU Index: Not listed
• NFPA704:
  

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