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Molecule
Vanadium, Oxo[Sulfato(2-)-Κo]-, Hydrate (1:5)
CAS: 12439-96-2 · H10O10SV
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 12439-96-2
- Molecular Formula
- H10O10SV
- Molecular Mass
- 253.08 g/mol
Identifiers
CAS Registry Number
12439-96-2
SMILES
O.O.O.O.O.O=S(=O)([O-])[O-].[O].[V+2]
InChI Key
YGYBXHQARYQUAY-UHFFFAOYSA-L
InChI
InChI=1S/H2O4S.5H2O.O.V/c1-5(2,3)4;;;;;;;/h(H2,1,2,3,4);5*1H2;;/q;;;;;;;+2/p-2
Names and Synonyms
- Vanadium, Oxo[Sulfato(2-)-Κo]-, Hydrate (1:5) Systematic Name
- Vanadium, oxo[sulfato(2-)-κO]-, hydrate (1:5) Synonym
- Vanadium, oxosulfato-, pentahydrate Synonym
- Vanadium, oxo[sulfato(2-)-O]-, pentahydrate Synonym
- Vanadium, oxo[sulfato(2-)-κO]-, pentahydrate Synonym
- Sulfuric acid, vanadium complex Synonym
- Vanadyl sulfate pentahydrate (VOSO4.5H2O) Synonym
- Vanadyl sulfate (VOSO4), pentahydrate Synonym
- vanadium oxide sulfate (VO(SO4)) pentahydrate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 253.08 g/mol | CAS Common Chemistry |
| 253.08099999999996 g/mol | RDKit | |
| 253.081 g/mol | RDKit | |
| 259.12 g/mol | chempirical lib | |
| Canonical SMILES | O=[V+2][O-]S(=O)(=O)[O-].O | CAS Common Chemistry |
| InChI | InChI=1S/H2O4S.5H2O.O.V/c1-5(2,3)4;;;;;;;/h(H2,1,2,3,4);5*1H2;;/q;;;;;;;+2/p-2 | CAS Common Chemistry |
| InChI Key | InChIKey=YGYBXHQARYQUAY-UHFFFAOYSA-L | CAS Common Chemistry |
| Name | Vanadium, oxo[sulfato(2-)-κO]-, hydrate (1:5) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 266.26 Ų | RDKit |
| LogP | -5.582799999999997 | RDKit |
| -5.5828 | RDKit | |
| Molar Refractivity | 29.230099999999997 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 252.94342702 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 253.08 g/mol. Edit any field — others recompute live.
