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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 Weight:
152.055 g/mol
Names and Synonyms:
Calcium Hydroxyphosphate
BABI-HAP-N 100
Hydroxyapatite C
Captal S
GAP 85UD
Micro-SHAp IHM 100P000
Fin-Granule
Neo Active Apatite
IHM 100P000
Micro-SHAp
Sintlife
nanoXIM.HAp 402
nanoXIM.TCP 202
Ostim 35
HAP 100
HAP 100 (mineral)
Cellyard
nano-SHAp-MHS 00405
Apa-micron PP
Apapore 60
CHT Typell
Captal 30SD
P 218R
HAP 200
Bongros
CHT
Apatite HAP
Engipore
Coralina HAP 200
Captal 60-1
Apaceram-AX
Cellyard-AX
Actifuse
Apapore
HAP 15NP
Radiesse
Captal 30
Nukbone
HAP 300
HAP-SC
Boneceram K
Bone ject
Boneceram P-G 1
Boneceram P-G 0
SP 1
Neobone
ProOsteon
PeriApatite
HAP 08NP
APP 600
Hydroxypol
Captal
HAP
HAP (mineral)
Captal 90
HW 004 (mineral)
Captal R
HA 200
HW 004
HA 300BP
Ceratite
Alveograf
Win 40350
AMDRY 6021
APAFILL-G
Apatite hydroxide (Ca10(PO4)6(OH)2)
FKI
Bonfil
Boneceram P
Interpore 200
Apatite
Interpore 500
Hy-Apatite
Synamel
HAP-B
Apaceram
Durapatite
Tri-Tab
Hydroxyapatite
Calcium hydroxyapatite
Supertite 10
Monite
Hydroxylapatite
Hydroxylapatite (Ca5(OH)(PO4)3)
Identifiers:
SMILES:
O=P([O-])([O-])[O-].[Ca].[OH-]
InChI:
InChI=1S/Ca.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/p-4
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 152.055 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 151.92094506164003 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 116.25 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -3.3822 | RDKit |
| molecular_mass | 152.06 g/mol | Legacy Database |
| density | 3.08 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Calcium_hydroxyphosphate None | Legacy Database |
| cas-canonical-smile | [Ca].[OH-].O=P([O-])([O-])[O-] None | Legacy Database |
| cas-density | 3.076 g/cm3 @ Temp: 18 °C None | Legacy Database |
| cas-inchi | InChI=1S/Ca.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/p-4 None | Legacy Database |
| cas-inchi-key | InChIKey=SNEQGKNGRFIHGW-UHFFFAOYSA-J None | Legacy Database |
| cas-melting-point | 1500 °C None | Legacy Database |
| cas-name | Hydroxylapatite (Ca5(OH)(PO4)3) None | Legacy Database |
| wikipedia-name | Calcium hydroxyphosphate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.296299999999999 | RDKit |
