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Calcium Hydroxyphosphate

CAS: 1306-06-5 | HCaO5P-4

2D Structure

3D Structure

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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.

External Resources

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

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