[hydroxy(sulfooxy)phosphoryl]phosphonic acid

H4O9P2S — CID 150163051

IUPAC[hydroxy(sulfooxy)phosphoryl]phosphonic acid
SMILESO=P(O)(O)P(=O)(O)OS(=O)(=O)O
InChIInChI=1S/H4O9P2S/c1-10(2,3)11(4,5)9-12(6,7)8/h(H,4,5)(H2,1,2,3)(H,6,7,8)
InChIKeyFHVLOYAIGFUWTQ-UHFFFAOYSA-N
MW242.04 g/mol
LogP-0.92
Rot. Bonds3

About [hydroxy(sulfooxy)phosphoryl]phosphonic acid

[hydroxy(sulfooxy)phosphoryl]phosphonic acid (PubChem CID 150163051) has the molecular formula H4O9P2S and a molecular weight of 242.04 g/mol. Its IUPAC name is [hydroxy(sulfooxy)phosphoryl]phosphonic acid.

Molecular Properties

Compound Name[hydroxy(sulfooxy)phosphoryl]phosphonic acid
PubChem CID150163051
Molecular FormulaH4O9P2S
Molecular Weight242.04 g/mol
Exact Mass241.91
IUPAC Name[hydroxy(sulfooxy)phosphoryl]phosphonic acid
SMILESO=P(O)(O)P(=O)(O)OS(=O)(=O)O
InChIInChI=1S/H4O9P2S/c1-10(2,3)11(4,5)9-12(6,7)8/h(H,4,5)(H2,1,2,3)(H,6,7,8)
InChIKeyFHVLOYAIGFUWTQ-UHFFFAOYSA-N
XLogP-0.92
TPSA158.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.04
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

bis(sulfo dihydrogen phosphate);sulfuric acid
CID 173418337
azane;sulfo dihydrogen phosphate
CID 173203542
azane;sulfo dihydrogen phosphate;zinc
CID 175237614
calcium;trisodium;hydride;sulfo dihydrogen phosphate
CID 173350436
dihydroxyphosphinothioyl hydrogen sulfate
CID 174609403
diaminophosphoryl hydrogen sulfate
CID 174774826
[hydroxy(sulfooxy)phosphoryl] methanesulfonate
CID 150540601
nitro sulfo hydrogen phosphate
CID 154295491
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
[difluoro-[hydroxy(sulfooxy)phosphoryl]methyl]phosphonic acid
CID 87348536
[hydroxy(sulfooxy)phosphoryl]oxymethanethioic S-acid
CID 138756853
sulfooxy dihydrogen phosphate
CID 20982148

Frequently Asked Questions

What is the IUPAC name of [hydroxy(sulfooxy)phosphoryl]phosphonic acid?
The IUPAC name of [hydroxy(sulfooxy)phosphoryl]phosphonic acid (CID 150163051) is [hydroxy(sulfooxy)phosphoryl]phosphonic acid.
What is the SMILES notation for [hydroxy(sulfooxy)phosphoryl]phosphonic acid?
The canonical SMILES for [hydroxy(sulfooxy)phosphoryl]phosphonic acid is O=P(O)(O)P(=O)(O)OS(=O)(=O)O.
What is the InChIKey of [hydroxy(sulfooxy)phosphoryl]phosphonic acid?
The InChIKey is FHVLOYAIGFUWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/H4O9P2S/c1-10(2,3)11(4,5)9-12(6,7)8/h(H,4,5)(H2,1,2,3)(H,6,7,8).
What are the key properties of [hydroxy(sulfooxy)phosphoryl]phosphonic acid?
[hydroxy(sulfooxy)phosphoryl]phosphonic acid has a molecular weight of 242.04 g/mol, XLogP of -0.92, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(sulfooxy)phosphoryl]phosphonic acid is sourced from PubChem (CID 150163051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).