tetracalcium hydroxycalciumylium triphosphate

• ChemBase ID: 102993
• Molecular Formular: Ca5HO13P3
• Molecular Mass: 502.311423
• Monoisotopic Mass: 501.67595488
• SMILES: [Ca+2].[Ca+2].[Ca+2].[Ca+2].O[Ca+].[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-].[Ca+]O.[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: tetracalcium hydroxycalciumylium triphosphate
• IUPAC Traditional name: tetracalcium(2+) hydroxycalciumylium triphosphate; tetracalcium hydroxycalciumylium triphosphate
• Synonyms: Calcium phosphate hydroxide; Durapatite; Hydroxylapatite; HYDROXYLAPATITE FAST FLOW; Calcium phosphate tribasic; HAp; Tribasic calcium phosphate; Calcium hydroxyphosphate; Calcium phosphate tribasic; Hydroxyapatite; HYDROXYLAPATITE, CERAMIC; HYDROXYLAPATITE HIGH RESOLUTION; Si-HAp; 磷酸钙 三元; 磷酸钙 三元; 骨粉; 牛骨粉; 碱式磷酸钙; 羟磷灰石; 羟基磷灰石

Database IDs

• CAS Number: 1306-06-05; 12167-74-7; 1306-06-5
• EC Number: 215-145-7; 235-330-6
• MDL Number: MFCD00010904
• PubChem SID: 24895395; 24879158; 162090783; 24852723; 24892771; 24845698; 24879156; 24880760; 24885371; 24892590; 24857195
• PubChem CID: 0

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

Physical Property

• Solubility: H2O: insoluble
• Apperance: buffered aqueous suspension; dispersion; nanoparticles; nanopowder; powder; solid
• Melting Point: 1100 °C(lit.)
• Density: 1.038 g/mL at 25 °C
• pH: 4-6

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: MY8434000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2; 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥90% (as Ca3(PO4)2, KT); ≥90% (calculated on glowed substance); ≥97%; ≥99.995% trace metals basis; 34.0-40.0% Ca basis; 35-40% Ca basis; 98.0-103.0%
• Concentration: 10 wt. % in H2O
• Grade: puriss.; purum p.a.; reagent grade; SAJ first grade
• Particle Size: <200 nm (BET)
• Suitability: insect cell culture tested; plant cell culture tested
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.2% insoluble in HCl; ≤5% water (KFT); residual solvents, complies
• Cation Traces: As: ≤2 mg/kg; Cd: ≤1 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cu: ≤20 mg/kg; Fe: ≤400 mg/kg; Hg: ≤1 mg/kg; Ni: ≤5 mg/kg; Pb: ≤2 mg/kg; Pb: ≤5 mg/kg; Zn: ≤10 mg/kg; Zn: ≤20 mg/kg
• Antion Traces: chloride (Cl-): ≤1500 mg/kg; chloride (Cl-): ≤500 mg/kg; fluoride (F-): ≤50 mg/kg; sulfate (SO42-): ≤2000 mg/kg; sulfate (SO42-): ≤5000 mg/kg
• Contains: ≤0.025 wt. % dispersant (non-metal based); 5 wt. % silica as dopant
• Surface Area: >9.4 m2/g; BET surf. area 10-15 m2/g (typical); BET surf. area 14.3 m2/g (typical)
• Loss on Drying: ≤10% loss on ignition, 800 °C; ≤8% loss on ignition, 800 °C
• Type: Type I
• Quality: meets analytical specification of Ph. Eur., BP, FCC, E341
• Bulk Density: 2-6 g/cm3
• Product Line: BioReagent
• Capacity: 0.7 mg/g, dry material binding capacity (DNA); 1.2 mg/g, dry material binding capacity (DNA); 12 mg/g, dry material binding capacity (BSA); 15 mL/g, dry material binding capacity (BSA)
• Linear Formula: [Ca5(OH)(PO4)3]x; 3Ca3(PO4)2 · Ca(OH)2
• Flow rate: >25 mL/h/cm2; 75 mL/h/cm2

DETAILS

MP Biomedicals - 02159814

Ceramic Hydroxylapatite is a spherical, highly regular particle with excellent durability, reproducibility and resolution. This high capacity material has a 40 μm particle size, and the narrow particle size distribution assures high flow rates with minimal back pressure and fines. Especially useful for process purifications and large scale applications.
Average Pore Size: 700 Angstroms
Pressure limit: 3000 psi
Packing density: Approx. 0.6 g/ml
Ca/P molar ratio: 1.67 (stoichiometric)

MP Biomedicals - 02150162

Fast Flow Free-flowing powder for column chromatography. This unique form of calcium phosphate has an inorganic matrix ideal for fractionation and purification of proteins, enzymes, steroids, nucleic acids, plasmids and viruses.

MP Biomedicals - 02150163

High Resolution
Free-flowing powder for column chromatography. This material has the same applications as Hydroxylapatite (#150162) but allows for faster separations
and higher resolution.

Sigma Aldrich - 55497

Other Notes
Purification of proteins1,2,3; Separation of single-stranded RNA from double-stranded RNA4; Purification of DNA5

Sigma Aldrich - C3161

Other Notes
Approx. Ca10(PO4)6(OH)2
Preparation Note
Precipitated to reduce trace impurities.
Application
Calcium phosphate tribasic (C3161) is plant cell culture tested (0.2 mg/ml) and is appropriate for use in plant cell culture experiments. Calcium phosphate tribasic is utilized to engineer new biomaterials for applications such as bone grafts and fillers.

Sigma Aldrich - 55496

Other Notes
DNA purification1; Analysis of DNA damage2; Stabilization of double-standard DNA3

Sigma Aldrich - 693863

Packaging
5 g in glass bottle
Application
Si-substituted hydroxyapatite (Si-HAp) nanopowder can be incorporated in biodegradable polymer composites or deposited on biocompatible surfaces similar to pure HAp nanopowder (cat. no. 677418). Biological activity of HAp was shown to be enhanced by substitution of silicon ions into a fraction of HAp lattice phosphate sites.1,2
Protocols & Applications
Bone Tissue Engineering Based on Calcium Phosphate Ceramics

Sigma Aldrich - 289396

Packaging
25, 100 g in poly bottle

Sigma Aldrich - C5267

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 702153

Packaging
25 mL in glass bottle
Protocols & Applications
Bone Tissue Engineering Based on Calcium Phosphate Ceramics

Sigma Aldrich - 677418

Application
Hydroxyapatite nanopowders, incorporated in biodegradable polymer composites1 or deposited on biocompatible substrates,2 have been shown to promote adhesions and proliferation of bone-forming (osteoblast) cells.
Packaging
5, 10, 25 g in poly bottle
Protocols & Applications
Bone Tissue Engineering Based on Calcium Phosphate Ceramics

Sigma Aldrich - 574791

Packaging
5, 15 g in glass bottle
Protocols & Applications
Bone Tissue Engineering Based on Calcium Phosphate Ceramics

Sigma Aldrich - H0252

Application
用于纯化蛋白质和核酸。
包装
根据干重确定包装尺寸
Physical form
悬浮于 0.001M 磷酸盐缓冲液中，pH 为 6.8；固体含量约为 25%