dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate

H10O19P6S — CID 173221128

IUPACdihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)OP(O)(O)=S
InChIInChI=1S/H5O10P3.H5O9P3S/c1-11(2,3)9-13(7,8)10-12(4,5)6;1-10(2,3)8-11(4,5)9-12(6,7)13/h(H,7,8)(H2,1,2,3)(H2,4,5,6);(H,4,5)(H2,1,2,3)(H2,6,7,13)
InChIKeyYETFMXOLNYNZRA-UHFFFAOYSA-N
MW531.97 g/mol
LogP-1.27
Rot. Bonds8

About dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate

dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate (PubChem CID 173221128) has the molecular formula H10O19P6S and a molecular weight of 531.97 g/mol. Its IUPAC name is dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate.

Molecular Properties

Compound Namedihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate
PubChem CID173221128
Molecular FormulaH10O19P6S
Molecular Weight531.97 g/mol
Exact Mass531.80
IUPAC Namedihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)OP(O)(O)=S
InChIInChI=1S/H5O10P3.H5O9P3S/c1-11(2,3)9-13(7,8)10-12(4,5)6;1-10(2,3)8-11(4,5)9-12(6,7)13/h(H,7,8)(H2,1,2,3)(H2,4,5,6);(H,4,5)(H2,1,2,3)(H2,6,7,13)
InChIKeyYETFMXOLNYNZRA-UHFFFAOYSA-N
XLogP-1.27
TPSA324.57 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.97
LogP ≤ 5-1.27
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dihydroxyphosphinothioyl phosphono hydrogen phosphate
CID 5289416
[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;diphosphono hydrogen phosphate?
The IUPAC name of dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate (CID 173221128) is dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate.
What is the SMILES notation for dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate?
The canonical SMILES for dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate is O=P(O)(O)OP(=O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)OP(O)(O)=S.
What is the InChIKey of dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate?
The InChIKey is YETFMXOLNYNZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/H5O10P3.H5O9P3S/c1-11(2,3)9-13(7,8)10-12(4,5)6;1-10(2,3)8-11(4,5)9-12(6,7)13/h(H,7,8)(H2,1,2,3)(H2,4,5,6);(H,4,5)(H2,1,2,3)(H2,6,7,13).
What are the key properties of dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate?
dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate has a molecular weight of 531.97 g/mol, XLogP of -1.27, 8 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate is sourced from PubChem (CID 173221128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).