dihydroxyphosphinothioyl phosphono hydrogen phosphate

H5O9P3S — CID 5289416

IUPACdihydroxyphosphinothioyl phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(O)(O)=S
InChIInChI=1S/H5O9P3S/c1-10(2,3)8-11(4,5)9-12(6,7)13/h(H,4,5)(H2,1,2,3)(H2,6,7,13)
InChIKeyCVQOAJMWCZVVJS-UHFFFAOYSA-N
MW274.02 g/mol
LogP-0.58
Rot. Bonds4

About dihydroxyphosphinothioyl phosphono hydrogen phosphate

dihydroxyphosphinothioyl phosphono hydrogen phosphate (PubChem CID 5289416) has the molecular formula H5O9P3S and a molecular weight of 274.02 g/mol. Its IUPAC name is dihydroxyphosphinothioyl phosphono hydrogen phosphate.

Molecular Properties

Compound Namedihydroxyphosphinothioyl phosphono hydrogen phosphate
PubChem CID5289416
Molecular FormulaH5O9P3S
Molecular Weight274.02 g/mol
Exact Mass273.89
IUPAC Namedihydroxyphosphinothioyl phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(O)(O)=S
InChIInChI=1S/H5O9P3S/c1-10(2,3)8-11(4,5)9-12(6,7)13/h(H,4,5)(H2,1,2,3)(H2,6,7,13)
InChIKeyCVQOAJMWCZVVJS-UHFFFAOYSA-N
XLogP-0.58
TPSA153.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.02
LogP ≤ 5-0.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate
CID 173221128
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
CID 170843855
CID 170843855
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
CID 131848730
CID 131848730
barium(2+);diphosphono hydrogen phosphate;hydride;titanium
CID 174660912
strontium;diphosphono hydrogen phosphate;hydride;indigane
CID 175142394
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527

Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphinothioyl phosphono hydrogen phosphate?
The IUPAC name of dihydroxyphosphinothioyl phosphono hydrogen phosphate (CID 5289416) is dihydroxyphosphinothioyl phosphono hydrogen phosphate.
What is the SMILES notation for dihydroxyphosphinothioyl phosphono hydrogen phosphate?
The canonical SMILES for dihydroxyphosphinothioyl phosphono hydrogen phosphate is O=P(O)(O)OP(=O)(O)OP(O)(O)=S.
What is the InChIKey of dihydroxyphosphinothioyl phosphono hydrogen phosphate?
The InChIKey is CVQOAJMWCZVVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/H5O9P3S/c1-10(2,3)8-11(4,5)9-12(6,7)13/h(H,4,5)(H2,1,2,3)(H2,6,7,13).
What are the key properties of dihydroxyphosphinothioyl phosphono hydrogen phosphate?
dihydroxyphosphinothioyl phosphono hydrogen phosphate has a molecular weight of 274.02 g/mol, XLogP of -0.58, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphinothioyl phosphono hydrogen phosphate is sourced from PubChem (CID 5289416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).