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Molecule
Stannous Pyrophosphate
CAS: 15578-26-4 · H4O7P2Sn2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 15578-26-4
- Molecular Formula
- H4O7P2Sn2
- Molecular Mass
- 415.40 g/mol
Identifiers
CAS Registry Number
15578-26-4
SMILES
O=P(O)(O)OP(=O)(O)O.[Sn].[Sn]
InChI Key
HEBIDFQMSAGEHE-UHFFFAOYSA-N
InChI
InChI=1S/H4O7P2.2Sn/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);;
Names and Synonyms
- Stannous Pyrophosphate Common Name
- Pyrophosphoric acid, tin(2+) salt (1:2) Synonym
- Diphosphoric acid, tin(2+) salt (1:2) Synonym
- Tin pyrophosphate (Sn2P2O7) Synonym
- Stannous pyrophosphate Synonym
- Tin(2+) pyrophosphate Synonym
- Tin(II) pyrophosphate Synonym
- Tin phosphate (Sn2(P2O7)) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 415.40 g/mol | CAS Common Chemistry |
| 415.39500000000004 g/mol | RDKit | |
| 417.747615128 g/mol | RDKit | |
| 419.425 g/mol | chempirical lib | |
| Density | 4.01 g/cm³ | CAS Common Chemistry |
| 4.01 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | [Sn].O=P(O)(O)OP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/H4O7P2.2Sn/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);; | CAS Common Chemistry |
| InChI Key | InChIKey=HEBIDFQMSAGEHE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >400 °C (decomp) | CAS Common Chemistry |
| Name | Stannous pyrophosphate | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 124.29000000000002 Ų | RDKit |
| 124.29 Ų | RDKit | |
| LogP | -1.5732000000000004 | RDKit |
| -1.5732 | RDKit | |
| Molar Refractivity | 36.681200000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 415.395 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
80
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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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MW = 415.40 g/mol; density = 4.010 g/mL. Edit any field — others recompute live.
