SDF/Mol File of Pyrophosphorous acid (H4O5P2)
Identification of Pyrophosphorous acid Chemical Compound
| Chemical Formula | H4O5P2 |
|---|---|
| Molecular Weight | 145.976284 g/mol |
| IUPAC Name | [(dihydroxyphosphanyl)oxy]phosphonous acid |
| SMILES String | OP(O)OP(O)O |
| InChI | InChI=1S/H4O5P2/c1-6(2)5-7(3)4/h1-4H |
| InChIKey | ZJIPHXXDPROMEF-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of Pyrophosphorous acid is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of Pyrophosphorous acid molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
Search Another SDF·MOL File
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- CAS #: 64-17-5
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Pyrophosphorous acid Molecule
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Chemical structure of Pyrophosphorous acid
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of Pyrophosphorous acid is available in chemical structure page of Pyrophosphorous acid, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of Pyrophosphorous acid
The molecular weight of Pyrophosphorous acid is available in molecular weight page of Pyrophosphorous acid, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of Pyrophosphorous acid
The chemical formula of Pyrophosphorous acid is given in chemical formula page of Pyrophosphorous acid, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of Pyrophosphorous acid
An alternative way of expressing structural information in text format is InChI. The full standard InChI of Pyrophosphorous acid is:
InChI=1S/H4O5P2/c1-6(2)5-7(3)4/h1-4H
It can provide a standard way to encode the molecular information of Pyrophosphorous acid to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Pyrophosphorous acid is:
InChIKey=ZJIPHXXDPROMEF-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Pyrophosphorous acid, but it needs to be linked to the full InChI to get back to the original structure of the Pyrophosphorous acid since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Pyrophosphorous acid
The Pyrophosphorous acid compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of Pyrophosphorous acid including the registry numbers are listed below, if available:
- dihydroxyphosphanyl dihydrogen phosphite
- Oxybis(phosphonous acid)
- 13445-56-2
- W4W7JY3ELM
- Diphosphorous acid
- Pyrophosphorous acid
Pyrophosphorous acid Identification Summary Frequently Asked Questions (FAQs)
| What’s the Pyrophosphorous acid formula? |
|---|
| H4O5P2 |
| How many atoms and what elements are included in the Pyrophosphorous acid molecule? |
| 11 atom(s) - 4 Hydrogen atom(s), 5 Oxygen atom(s), and 2 Phosphorous atom(s) |
| How many chemical bonds and what kind of bonds are in the Pyrophosphorous acid structure? |
| 10 bond(s) - 6 non-H bond(s), 2 rotatable bond(s), 4 hydroxyl group(s), and 2 phosphite(s)/thiophosphite(s) |
| What’s the Pyrophosphorous acid’s molar mass? |
| 145.976284 g/mol |
| What’s the SMILES structure of Pyrophosphorous acid? |
| OP(O)OP(O)O |
| What’s the InChI code of Pyrophosphorous acid? |
| InChI=1S/H4O5P2/c1-6(2)5-7(3)4/h1-4H |
| What’s the InChIKey format of Pyrophosphorous acid? |
| ZJIPHXXDPROMEF-UHFFFAOYSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).