potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride

H5ClKNa2O11P3 — CID 174949441

IUPACpotassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride
SMILESO=P([O-])(O)O.O=P([O-])(O)OP(=O)(O)O.[Cl-].[K+].[Na+].[Na+]
InChIInChI=1S/ClH.K.2Na.H4O7P2.H3O4P/c;;;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h1H;;;;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)/q;3*+1;;/p-3
InChIKeyVEPQRXWCLUJQQP-UHFFFAOYSA-K
MW394.48 g/mol
LogP-14.99
Rot. Bonds2

About potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride

potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride (PubChem CID 174949441) has the molecular formula H5ClKNa2O11P3 and a molecular weight of 394.48 g/mol. Its IUPAC name is potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride.

Molecular Properties

Compound Namepotassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride
PubChem CID174949441
Molecular FormulaH5ClKNa2O11P3
Molecular Weight394.48 g/mol
Exact Mass393.82
IUPAC Namepotassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride
SMILESO=P([O-])(O)O.O=P([O-])(O)OP(=O)(O)O.[Cl-].[K+].[Na+].[Na+]
InChIInChI=1S/ClH.K.2Na.H4O7P2.H3O4P/c;;;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h1H;;;;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)/q;3*+1;;/p-3
InChIKeyVEPQRXWCLUJQQP-UHFFFAOYSA-K
XLogP-14.99
TPSA207.71 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 5-14.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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potassium;sodium;dihydrogen phosphate;chloride
CID 161315092
dipotassium;sodium;bis(dihydrogen phosphate);chloride
CID 161050974
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phosphono phosphate
CID 57345951
manganese(2+);phosphono phosphate
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Frequently Asked Questions

What is the IUPAC name of potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride?
The IUPAC name of potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride (CID 174949441) is potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride.
What is the SMILES notation for potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride?
The canonical SMILES for potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride is O=P([O-])(O)O.O=P([O-])(O)OP(=O)(O)O.[Cl-].[K+].[Na+].[Na+].
What is the InChIKey of potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride?
The InChIKey is VEPQRXWCLUJQQP-UHFFFAOYSA-K. The full InChI is InChI=1S/ClH.K.2Na.H4O7P2.H3O4P/c;;;;1-8(2,3)7-9(4,5)6;1-5(2,3)4/h1H;;;;(H2,1,2,3)(H2,4,5,6);(H3,1,2,3,4)/q;3*+1;;/p-3.
What are the key properties of potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride?
potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride has a molecular weight of 394.48 g/mol, XLogP of -14.99, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;disodium;dihydrogen phosphate;phosphono hydrogen phosphate;chloride is sourced from PubChem (CID 174949441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).