sulfooxy dihydrogen phosphate

H3O8PS — CID 20982148

IUPACsulfooxy dihydrogen phosphate
SMILESO=P(O)(O)OOS(=O)(=O)O
InChIInChI=1S/H3O8PS/c1-9(2,3)7-8-10(4,5)6/h(H2,1,2,3)(H,4,5,6)
InChIKeyMCKSHOAYRLJSNP-UHFFFAOYSA-N
MW194.06 g/mol
LogP-1.17
Rot. Bonds3

About sulfooxy dihydrogen phosphate

sulfooxy dihydrogen phosphate (PubChem CID 20982148) has the molecular formula H3O8PS and a molecular weight of 194.06 g/mol. Its IUPAC name is sulfooxy dihydrogen phosphate.

Molecular Properties

Compound Namesulfooxy dihydrogen phosphate
PubChem CID20982148
Molecular FormulaH3O8PS
Molecular Weight194.06 g/mol
Exact Mass193.93
IUPAC Namesulfooxy dihydrogen phosphate
SMILESO=P(O)(O)OOS(=O)(=O)O
InChIInChI=1S/H3O8PS/c1-9(2,3)7-8-10(4,5)6/h(H2,1,2,3)(H,4,5,6)
InChIKeyMCKSHOAYRLJSNP-UHFFFAOYSA-N
XLogP-1.17
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
sulfooxy hydrogen sulfate
CID 24413
bis(sulfo dihydrogen phosphate);sulfuric acid
CID 173418337
azane;sulfo dihydrogen phosphate
CID 173203542
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
azane;sulfo dihydrogen phosphate;zinc
CID 175237614
tetrasodium;hydride;phosphonooxy dihydrogen phosphate
CID 173345146
sodium;sulfooxy hydrogen sulfate;hydroxide
CID 159457891
azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
potassium;hydride;sulfooxy hydrogen sulfate
CID 175284935
calcium;trisodium;hydride;sulfo dihydrogen phosphate
CID 173350436
hydroxy dihydrogen phosphate;sulfuric acid;zinc
CID 174227864

Frequently Asked Questions

What is the IUPAC name of sulfooxy dihydrogen phosphate?
The IUPAC name of sulfooxy dihydrogen phosphate (CID 20982148) is sulfooxy dihydrogen phosphate.
What is the SMILES notation for sulfooxy dihydrogen phosphate?
The canonical SMILES for sulfooxy dihydrogen phosphate is O=P(O)(O)OOS(=O)(=O)O.
What is the InChIKey of sulfooxy dihydrogen phosphate?
The InChIKey is MCKSHOAYRLJSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/H3O8PS/c1-9(2,3)7-8-10(4,5)6/h(H2,1,2,3)(H,4,5,6).
What are the key properties of sulfooxy dihydrogen phosphate?
sulfooxy dihydrogen phosphate has a molecular weight of 194.06 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sulfooxy dihydrogen phosphate is sourced from PubChem (CID 20982148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).