bis(sulfo dihydrogen phosphate);sulfuric acid

H10O22P2S4 — CID 173418337

IUPACbis(sulfo dihydrogen phosphate);sulfuric acid
SMILESO=P(O)(O)OS(=O)(=O)O.O=P(O)(O)OS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/2H3O7PS.2H2O4S/c2*1-8(2,3)7-9(4,5)6;2*1-5(2,3)4/h2*(H2,1,2,3)(H,4,5,6);2*(H2,1,2,3,4)
InChIKeyVLSHZVXYPZDPRZ-UHFFFAOYSA-N
MW552.27 g/mol
LogP-3.51
Rot. Bonds4

About bis(sulfo dihydrogen phosphate);sulfuric acid

bis(sulfo dihydrogen phosphate);sulfuric acid (PubChem CID 173418337) has the molecular formula H10O22P2S4 and a molecular weight of 552.27 g/mol. Its IUPAC name is bis(sulfo dihydrogen phosphate);sulfuric acid.

Molecular Properties

Compound Namebis(sulfo dihydrogen phosphate);sulfuric acid
PubChem CID173418337
Molecular FormulaH10O22P2S4
Molecular Weight552.27 g/mol
Exact Mass551.80
IUPAC Namebis(sulfo dihydrogen phosphate);sulfuric acid
SMILESO=P(O)(O)OS(=O)(=O)O.O=P(O)(O)OS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/2H3O7PS.2H2O4S/c2*1-8(2,3)7-9(4,5)6;2*1-5(2,3)4/h2*(H2,1,2,3)(H,4,5,6);2*(H2,1,2,3,4)
InChIKeyVLSHZVXYPZDPRZ-UHFFFAOYSA-N
XLogP-3.51
TPSA391.46 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500552.27
LogP ≤ 5-3.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azane;sulfo dihydrogen phosphate
CID 173203542
azane;sulfo dihydrogen phosphate;zinc
CID 175237614
calcium;trisodium;hydride;sulfo dihydrogen phosphate
CID 173350436
[hydroxy(sulfooxy)phosphoryl]phosphonic acid
CID 150163051
hydroxy dihydrogen phosphate;sulfuric acid;zinc
CID 174227864
dihydroxyphosphinothioyl hydrogen sulfate
CID 174609403
diaminophosphoryl hydrogen sulfate
CID 174774826
azane;phosphoric acid;sulfuric acid
CID 173395945
[hydroxy(sulfooxy)phosphoryl] methanesulfonate
CID 150540601
sodium;alumane;hydride;phosphono dihydrogen phosphate;sulfuric acid
CID 174325023
sulfooxy dihydrogen phosphate
CID 20982148
nitro sulfo hydrogen phosphate
CID 154295491

Frequently Asked Questions

What is the IUPAC name of bis(sulfo dihydrogen phosphate);sulfuric acid?
The IUPAC name of bis(sulfo dihydrogen phosphate);sulfuric acid (CID 173418337) is bis(sulfo dihydrogen phosphate);sulfuric acid.
What is the SMILES notation for bis(sulfo dihydrogen phosphate);sulfuric acid?
The canonical SMILES for bis(sulfo dihydrogen phosphate);sulfuric acid is O=P(O)(O)OS(=O)(=O)O.O=P(O)(O)OS(=O)(=O)O.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of bis(sulfo dihydrogen phosphate);sulfuric acid?
The InChIKey is VLSHZVXYPZDPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3O7PS.2H2O4S/c2*1-8(2,3)7-9(4,5)6;2*1-5(2,3)4/h2*(H2,1,2,3)(H,4,5,6);2*(H2,1,2,3,4).
What are the key properties of bis(sulfo dihydrogen phosphate);sulfuric acid?
bis(sulfo dihydrogen phosphate);sulfuric acid has a molecular weight of 552.27 g/mol, XLogP of -3.51, 4 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(sulfo dihydrogen phosphate);sulfuric acid is sourced from PubChem (CID 173418337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).