hexapotassium bis(diphosphono hydrogen phosphate)

H10K6O20P6+6 — CID 170923258

IUPAChexapotassium bis(diphosphono hydrogen phosphate)
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/6K.2H5O10P3/c;;;;;;2*1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;;2*(H,7,8)(H2,1,2,3)(H2,4,5,6)/q6*+1;;
InChIKeyKBUVAIKCSHHDGU-UHFFFAOYSA-N
MW750.49 g/mol
LogP-19.37
Rot. Bonds8

About hexapotassium bis(diphosphono hydrogen phosphate)

hexapotassium bis(diphosphono hydrogen phosphate) (PubChem CID 170923258) has the molecular formula H10K6O20P6+6 and a molecular weight of 750.49 g/mol. Its IUPAC name is hexapotassium bis(diphosphono hydrogen phosphate).

Molecular Properties

Compound Namehexapotassium bis(diphosphono hydrogen phosphate)
PubChem CID170923258
Molecular FormulaH10K6O20P6+6
Molecular Weight750.49 g/mol
Exact Mass749.60
IUPAC Namehexapotassium bis(diphosphono hydrogen phosphate)
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/6K.2H5O10P3/c;;;;;;2*1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;;2*(H,7,8)(H2,1,2,3)(H2,4,5,6)/q6*+1;;
InChIKeyKBUVAIKCSHHDGU-UHFFFAOYSA-N
XLogP-19.37
TPSA341.64 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.49
LogP ≤ 5-19.37
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
CID 170843855
CID 170843855
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
CID 131848730
CID 131848730
strontium;diphosphono hydrogen phosphate;hydride;indigane
CID 175142394
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
barium(2+);diphosphono hydrogen phosphate;hydride;titanium
CID 174660912
tetrakis([hydroxy(phosphonooxy)phosphoryl]oxy-phosphanylphosphinic acid);platinum
CID 159716493
azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate
CID 174621290

Frequently Asked Questions

What is the IUPAC name of hexapotassium bis(diphosphono hydrogen phosphate)?
The IUPAC name of hexapotassium bis(diphosphono hydrogen phosphate) (CID 170923258) is hexapotassium bis(diphosphono hydrogen phosphate).
What is the SMILES notation for hexapotassium bis(diphosphono hydrogen phosphate)?
The canonical SMILES for hexapotassium bis(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)O.[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of hexapotassium bis(diphosphono hydrogen phosphate)?
The InChIKey is KBUVAIKCSHHDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/6K.2H5O10P3/c;;;;;;2*1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;;2*(H,7,8)(H2,1,2,3)(H2,4,5,6)/q6*+1;;.
What are the key properties of hexapotassium bis(diphosphono hydrogen phosphate)?
hexapotassium bis(diphosphono hydrogen phosphate) has a molecular weight of 750.49 g/mol, XLogP of -19.37, 8 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for hexapotassium bis(diphosphono hydrogen phosphate) is sourced from PubChem (CID 170923258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).