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Molecule
Calcium Hydroxide Phosphate (Ca5(Oh)(Po4)3)
CAS: 12167-74-7 · HCaO5P-4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 12167-74-7
- Molecular Formula
- HCaO5P-4
- Molecular Mass
- 152.06 g/mol
Identifiers
CAS Registry Number
12167-74-7
SMILES
O=P([O-])([O-])[O-].[Ca].[OH-]
InChI Key
SNEQGKNGRFIHGW-UHFFFAOYSA-J
InChI
InChI=1S/Ca.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/p-4
Names and Synonyms
- Calcium Hydroxide Phosphate (Ca5(Oh)(Po4)3) Common Name
- Calcium hydroxide phosphate (Ca5(OH)(PO4)3) Synonym
- Calcium phosphate (Ca10(OH)2(PO4)6) Synonym
- Calcium phosphate (Ca5OH(PO4)3) Synonym
- Calcium tribasic phosphate Synonym
- Calcium hydroxyphosphate (Ca10(OH)2(PO4)6) Synonym
- Calcium hydroxide phosphate (Ca10(OH)2(PO4)6) Synonym
- Pentacalcium hydroxide triphosphate Synonym
- Calcium phosphate hydroxide (Ca10(PO4)6(OH)2) Synonym
- Calcium phosphate hydroxide (Ca5(PO4)3(OH)) Synonym
- Decacalcium hexaphosphate dihydroxide Synonym
- Calcium hydroxyphosphate (Ca5(PO4)3OH) Synonym
- Pentacalcium hydroxylphosphate Synonym
- Hydroxyapatite (synthetic) Synonym
- Calcium hydroxyapatite Synonym
- Synthetic hydroxyapatite Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 152.06 g/mol | CAS Common Chemistry |
| 152.055 g/mol | RDKit | |
| 154.071 g/mol | chempirical lib | |
| Density | 3.14 g/cm³ | CAS Common Chemistry |
| 3.14 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Ca].[OH-].O=P([O-])([O-])[O-] | CAS Common Chemistry |
| InChI | InChI=1S/Ca.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/p-4 | CAS Common Chemistry |
| InChI Key | InChIKey=SNEQGKNGRFIHGW-UHFFFAOYSA-J | CAS Common Chemistry |
| Name | Calcium hydroxide phosphate (Ca5(OH)(PO4)3) | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 116.25 Ų | RDKit |
| LogP | -3.3822 | RDKit |
| Molar Refractivity | 15.296299999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | -4 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 151.92094506164003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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4
3
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1
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200 ppm
180
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140
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 152.06 g/mol; density = 3.140 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula HCaO5P-4.
