hydroxy dihydrogen phosphate;sulfuric acid;zinc

H5O9PSZn — CID 174227864

IUPAChydroxy dihydrogen phosphate;sulfuric acid;zinc
SMILESO=P(O)(O)OO.O=S(=O)(O)O.[Zn]
InChIInChI=1S/H3O5P.H2O4S.Zn/c1-5-6(2,3)4;1-5(2,3)4;/h1H,(H2,2,3,4);(H2,1,2,3,4);
InChIKeyJSAXWYOMZGDWFQ-UHFFFAOYSA-N
MW277.46 g/mol
LogP-1.09
Rot. Bonds1

About hydroxy dihydrogen phosphate;sulfuric acid;zinc

hydroxy dihydrogen phosphate;sulfuric acid;zinc (PubChem CID 174227864) has the molecular formula H5O9PSZn and a molecular weight of 277.46 g/mol. Its IUPAC name is hydroxy dihydrogen phosphate;sulfuric acid;zinc.

Molecular Properties

Compound Namehydroxy dihydrogen phosphate;sulfuric acid;zinc
PubChem CID174227864
Molecular FormulaH5O9PSZn
Molecular Weight277.46 g/mol
Exact Mass275.87
IUPAC Namehydroxy dihydrogen phosphate;sulfuric acid;zinc
SMILESO=P(O)(O)OO.O=S(=O)(O)O.[Zn]
InChIInChI=1S/H3O5P.H2O4S.Zn/c1-5-6(2,3)4;1-5(2,3)4;/h1H,(H2,2,3,4);(H2,1,2,3,4);
InChIKeyJSAXWYOMZGDWFQ-UHFFFAOYSA-N
XLogP-1.09
TPSA161.59 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 5-1.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 159985541
bis(sulfo dihydrogen phosphate);sulfuric acid
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strontium;europium;hydride;hydroxy dihydrogen phosphate;manganese
CID 174505861
azane;sulfo dihydrogen phosphate;zinc
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sodium;alumane;hydride;phosphono dihydrogen phosphate;sulfuric acid
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sulfuric acid;zinc
CID 173312320
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Frequently Asked Questions

What is the IUPAC name of hydroxy dihydrogen phosphate;sulfuric acid;zinc?
The IUPAC name of hydroxy dihydrogen phosphate;sulfuric acid;zinc (CID 174227864) is hydroxy dihydrogen phosphate;sulfuric acid;zinc.
What is the SMILES notation for hydroxy dihydrogen phosphate;sulfuric acid;zinc?
The canonical SMILES for hydroxy dihydrogen phosphate;sulfuric acid;zinc is O=P(O)(O)OO.O=S(=O)(O)O.[Zn].
What is the InChIKey of hydroxy dihydrogen phosphate;sulfuric acid;zinc?
The InChIKey is JSAXWYOMZGDWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O5P.H2O4S.Zn/c1-5-6(2,3)4;1-5(2,3)4;/h1H,(H2,2,3,4);(H2,1,2,3,4);.
What are the key properties of hydroxy dihydrogen phosphate;sulfuric acid;zinc?
hydroxy dihydrogen phosphate;sulfuric acid;zinc has a molecular weight of 277.46 g/mol, XLogP of -1.09, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy dihydrogen phosphate;sulfuric acid;zinc is sourced from PubChem (CID 174227864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).