1. Primary Information
| English name: | Calcium pyrophosphate |
| CAS No.: | 7790-76-3 |
| Molecular formula: | CA2P2O7 |
| Molecular weight: | 254.10 g/mol |
| SMILES: | [O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2] |
| Structural class: | |
| Other identifiers: |
Calcium Diphosphate Calcium Pyrophosphate Calcium Pyrophosphate (1:1) Calcium Pyrophosphate (1:2) Calcium Pyrophosphate (2:1) |
2. Suppliers & Pricing
| Supplier | Pack size | Purity | Price (CNY) | Storage conditions | Lead time | Notes |
| Kehua Intelligence | 100g | AR | 48 | RT | in stock | - |
| Kehua Intelligence | 500g | AR | 112 | RT | in stock | - |
3. Structures
3.1 2D structure
3.2 3D structure
Coming soon
4. International Nomenclature & Identifiers
4.1 IUPAC Name
dicalcium;phosphonato phosphate
4.2 InChI
InChI=1S/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
4.3 InChIKey
JUNWLZAGQLJVLR-UHFFFAOYSA-J
4.4 Canonical SMILES
[O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2]
4.5 Isomeric SMILES
-
4.6 SDF file
Coming soon
5. Spectroscopic data
5.1 13C nuclear magnetic resonance (13C NMR)
Coming soon
5.2 1H nuclear magnetic resonance (1H NMR)
Coming soon
5.3 Mass spectrometry (MS)
Coming soon
5.4 Infrared spectroscopy (IR)
Coming soon
5.5 Ultraviolet/visible spectroscopy (UV/Vis)
Coming soon
-- No 3D model data available --
