dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate

H9K2NaO13P4 — CID 174808221

IUPACdipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[H-].[H-].[K+].[K+].[Na+]
InChIInChI=1S/2K.Na.H6O13P4.3H/c;;;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6;;;/h;;;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6);;;/q3*+1;;3*-1
InChIKeyNQTIIJRPDHLYEF-UHFFFAOYSA-N
MW442.14 g/mol
LogP-9.23
Rot. Bonds6

About dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate

dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate (PubChem CID 174808221) has the molecular formula H9K2NaO13P4 and a molecular weight of 442.14 g/mol. Its IUPAC name is dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate.

Molecular Properties

Compound Namedipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
PubChem CID174808221
Molecular FormulaH9K2NaO13P4
Molecular Weight442.14 g/mol
Exact Mass441.82
IUPAC Namedipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[H-].[H-].[K+].[K+].[Na+]
InChIInChI=1S/2K.Na.H6O13P4.3H/c;;;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6;;;/h;;;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6);;;/q3*+1;;3*-1
InChIKeyNQTIIJRPDHLYEF-UHFFFAOYSA-N
XLogP-9.23
TPSA217.35 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.14
LogP ≤ 5-9.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
[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
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
barium(2+);diphosphono hydrogen phosphate;hydride;titanium
CID 174660912
strontium;diphosphono hydrogen phosphate;hydride;indigane
CID 175142394
CID 170843855
CID 170843855
potassium;sodium;hydride;phosphono dihydrogen phosphate;trihydrate
CID 175108707
CID 131848730
CID 131848730
dihydroxyphosphinothioyl phosphono hydrogen phosphate;diphosphono hydrogen phosphate
CID 173221128

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate?
The IUPAC name of dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate (CID 174808221) is dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate.
What is the SMILES notation for dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate?
The canonical SMILES for dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate is O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[H-].[H-].[K+].[K+].[Na+].
What is the InChIKey of dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate?
The InChIKey is NQTIIJRPDHLYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2K.Na.H6O13P4.3H/c;;;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6;;;/h;;;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6);;;/q3*+1;;3*-1.
What are the key properties of dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate?
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate has a molecular weight of 442.14 g/mol, XLogP of -9.23, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate is sourced from PubChem (CID 174808221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).