pentacalcium oxidanide triphosphate

• ChemBase ID: 105705
• Molecular Formular: Ca5HO13P3
• Molecular Mass: 502.311423
• Monoisotopic Mass: 501.67595488
• SMILES: [OH-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]
• Canonical SMILES: [O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[OH-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2]
• InChI: InChI=1S/5Ca.3H3O4P.H2O/c;;;;;3*1-5(2,3)4;/h;;;;;3*(H3,1,2,3,4);1H2/q5*+2;;;;/p-10
• InChIKey: XYJRXVWERLGGKC-UHFFFAOYSA-D

NAMES AND DATABASE IDS

Names

• IUPAC name: pentacalcium oxidanide triphosphate
• IUPAC Traditional name: pentacalcium(2+) OH- triphosphate
• Synonyms: CALCIUM PHOSPHATE TRIBASIC

Database IDs

• CAS Number: 12167-74-7
• EC Number: 235-330-6
• PubChem SID: 162092823
• PubChem CID: 14781

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: false

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02193806

Tribasic
Cell Culture Reagent

MP Biomedicals - 02193805

Tribasic