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Molecule
Calcium Hydroxyphosphate
CAS: 1306-06-5 · HCaO5P-4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1306-06-5
- Molecular Formula
- HCaO5P-4
- Molecular Mass
- 152.06 g/mol
Identifiers
CAS Registry Number
1306-06-5
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 Hydroxyphosphate Common Name
- Hydroxylapatite (Ca5(OH)(PO4)3) Synonym
- Hydroxylapatite Synonym
- Monite Synonym
- Supertite 10 Synonym
- Calcium hydroxyapatite Synonym
- Hydroxyapatite Synonym
- Tri-Tab Synonym
- Durapatite Synonym
- Apaceram Synonym
- HAP-B Synonym
- Synamel Synonym
- Hy-Apatite Synonym
- Interpore 500 Synonym
- Apatite Synonym
- Interpore 200 Synonym
- Boneceram P Synonym
- Bonfil Synonym
- FKI Synonym
- Apatite hydroxide (Ca10(PO4)6(OH)2) Synonym
- APAFILL-G Synonym
- AMDRY 6021 Synonym
- Win 40350 Synonym
- Alveograf Synonym
- Ceratite Synonym
- HA 300BP Synonym
- HW 004 Synonym
- HA 200 Synonym
- Captal R Synonym
- HW 004 (mineral) Synonym
- Captal 90 Synonym
- HAP (mineral) Synonym
- HAP Synonym
- Captal Synonym
- Hydroxypol Synonym
- APP 600 Synonym
- HAP 08NP Synonym
- PeriApatite Synonym
- ProOsteon Synonym
- Neobone Synonym
- SP 1 Synonym
- Boneceram P-G 0 Synonym
- Boneceram P-G 1 Synonym
- Bone ject Synonym
- Boneceram K Synonym
- HAP-SC Synonym
- HAP 300 Synonym
- Nukbone Synonym
- Captal 30 Synonym
- Radiesse Synonym
- HAP 15NP Synonym
- Apapore Synonym
- Actifuse Synonym
- Cellyard-AX Synonym
- Apaceram-AX Synonym
- Captal 60-1 Synonym
- Coralina HAP 200 Synonym
- Engipore Synonym
- Apatite HAP Synonym
- CHT Synonym
- Bongros Synonym
- HAP 200 Synonym
- P 218R Synonym
- Captal 30SD Synonym
- CHT Typell Synonym
- Apapore 60 Synonym
- Apa-micron PP Synonym
- nano-SHAp-MHS 00405 Synonym
- Cellyard Synonym
- HAP 100 (mineral) Synonym
- HAP 100 Synonym
- Ostim 35 Synonym
- nanoXIM.TCP 202 Synonym
- nanoXIM.HAp 402 Synonym
- Sintlife Synonym
- Micro-SHAp Synonym
- IHM 100P000 Synonym
- Neo Active Apatite Synonym
- Fin-Granule Synonym
- Micro-SHAp IHM 100P000 Synonym
- GAP 85UD Synonym
- Captal S Synonym
- Hydroxyapatite C Synonym
- BABI-HAP-N 100 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 | 3.08 g/cm³ | CAS Common Chemistry |
| 3.076 g/cm3 @ 18 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Calcium_hydroxyphosphate | 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 |
| Melting Point | 1500 °C | CAS Common Chemistry |
| Name | Hydroxylapatite (Ca5(OH)(PO4)3) | CAS Common Chemistry |
| Calcium hydroxyphosphate | 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
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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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Quick conversion
MW = 152.06 g/mol; density = 3.080 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula HCaO5P-4.
