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1306-06-05 molecular structure
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tetracalcium hydroxycalciumylium triphosphate

ChemBase ID: 102993
Molecular Formular: Ca5HO13P3
Molecular Mass: 502.311423
Monoisotopic Mass: 501.67595488
SMILES and InChIs

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

Cite this record

CBID:102993 http://www.chembase.cn/molecule-102993.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7961261  H Acceptors
H Donor LogD (pH = 5.5) -3.3916447 
LogD (pH = 7.4) -3.9718332  Log P -1.0201038 
Molar Refractivity 11.2868 cm3 Polarizability 5.564544 Å3
Polar Surface Area 86.25 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: insoluble expand Show data source
Apperance
buffered aqueous suspension expand Show data source
dispersion expand Show data source
nanoparticles expand Show data source
nanopowder expand Show data source
powder expand Show data source
solid expand Show data source
Melting Point
1100 °C(lit.) expand Show data source
Density
1.038 g/mL at 25 °C expand Show data source
pH
4-6 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
MY8434000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
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Download expand Show data source
German water hazard class
2 expand Show data source
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Eyeshields, Gloves expand Show data source
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥90% (as Ca3(PO4)2, KT) expand Show data source
≥90% (calculated on glowed substance) expand Show data source
≥97% expand Show data source
≥99.995% trace metals basis expand Show data source
34.0-40.0% Ca basis expand Show data source
35-40% Ca basis expand Show data source
98.0-103.0% expand Show data source
Concentration
10 wt. % in H2O expand Show data source
Grade
puriss. expand Show data source
purum p.a. expand Show data source
reagent grade expand Show data source
SAJ first grade expand Show data source
Particle Size
<200 nm (BET) expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Download expand Show data source
Suitability
insect cell culture tested expand Show data source
plant cell culture tested expand Show data source
Impurities
≤0.001% heavy metals (as Pb) expand Show data source
≤0.2% insoluble in HCl expand Show data source
≤5% water (KFT) expand Show data source
residual solvents, complies expand Show data source
Cation Traces
As: ≤2 mg/kg expand Show data source
Cd: ≤1 mg/kg expand Show data source
Cd: ≤5 mg/kg expand Show data source
Co: ≤5 mg/kg expand Show data source
Cu: ≤20 mg/kg expand Show data source
Fe: ≤400 mg/kg expand Show data source
Hg: ≤1 mg/kg expand Show data source
Ni: ≤5 mg/kg expand Show data source
Pb: ≤2 mg/kg expand Show data source
Pb: ≤5 mg/kg expand Show data source
Zn: ≤10 mg/kg expand Show data source
Zn: ≤20 mg/kg expand Show data source
Antion Traces
chloride (Cl-): ≤1500 mg/kg expand Show data source
chloride (Cl-): ≤500 mg/kg expand Show data source
fluoride (F-): ≤50 mg/kg expand Show data source
sulfate (SO42-): ≤2000 mg/kg expand Show data source
sulfate (SO42-): ≤5000 mg/kg expand Show data source
Contains
≤0.025 wt. % dispersant (non-metal based) expand Show data source
5 wt. % silica as dopant expand Show data source
Surface Area
>9.4 m2/g expand Show data source
BET surf. area 10-15 m2/g (typical) expand Show data source
BET surf. area 14.3 m2/g (typical) expand Show data source
Loss on Drying
≤10% loss on ignition, 800 °C expand Show data source
≤8% loss on ignition, 800 °C expand Show data source
Type
Type I expand Show data source
Quality
meets analytical specification of Ph. Eur., BP, FCC, E341 expand Show data source
Bulk Density
2-6 g/cm3 expand Show data source
Product Line
BioReagent expand Show data source
Capacity
0.7 mg/g, dry material binding capacity (DNA) expand Show data source
1.2 mg/g, dry material binding capacity (DNA) expand Show data source
12 mg/g, dry material binding capacity (BSA) expand Show data source
15 mL/g, dry material binding capacity (BSA) expand Show data source
Linear Formula
[Ca5(OH)(PO4)3]x expand Show data source
3Ca3(PO4)2 · Ca(OH)2 expand Show data source
Flow rate
>25 mL/h/cm2 expand Show data source
75 mL/h/cm2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02159814 external link
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 external link
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 external link
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 external link
Other Notes
Purification of proteins1,2,3; Separation of single-stranded RNA from double-stranded RNA4; Purification of DNA5
Sigma Aldrich - C3161 external link
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 external link
Other Notes
DNA purification1; Analysis of DNA damage2; Stabilization of double-standard DNA3
Sigma Aldrich - 693863 external link
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 external link
Packaging
25, 100 g in poly bottle
Sigma Aldrich - C5267 external link
Packaging
100, 500 g in poly bottle
Sigma Aldrich - 702153 external link
Packaging
25 mL in glass bottle
Protocols & Applications
Bone Tissue Engineering Based on Calcium Phosphate Ceramics
Sigma Aldrich - 677418 external link
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 external link
Packaging
5, 15 g in glass bottle
Protocols & Applications
Bone Tissue Engineering Based on Calcium Phosphate Ceramics
Sigma Aldrich - H0252 external link
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%

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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