tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate

H3ClK3NNaO11PS — CID 175227648

IUPACtripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate
SMILESO=P([O-])(O)O.O=S(=O)([O-])[O-].O=[N+]([O-])O.[Cl-].[K+].[K+].[K+].[Na+]
InChIInChI=1S/ClH.3K.HNO3.Na.H3O4P.H2O4S/c;;;;2-1(3)4;;2*1-5(2,3)4/h1H;;;;(H,2,3,4);;(H3,1,2,3,4);(H2,1,2,3,4)/q;3*+1;;+1;;/p-4
InChIKeyNTFKRBDLZCRUAI-UHFFFAOYSA-J
MW431.80 g/mol
LogP-18.23
Rot. Bonds

About tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate

tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate (PubChem CID 175227648) has the molecular formula H3ClK3NNaO11PS and a molecular weight of 431.80 g/mol. Its IUPAC name is tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate.

Molecular Properties

Compound Nametripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate
PubChem CID175227648
Molecular FormulaH3ClK3NNaO11PS
Molecular Weight431.80 g/mol
Exact Mass430.77
IUPAC Nametripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate
SMILESO=P([O-])(O)O.O=S(=O)([O-])[O-].O=[N+]([O-])O.[Cl-].[K+].[K+].[K+].[Na+]
InChIInChI=1S/ClH.3K.HNO3.Na.H3O4P.H2O4S/c;;;;2-1(3)4;;2*1-5(2,3)4/h1H;;;;(H,2,3,4);;(H3,1,2,3,4);(H2,1,2,3,4)/q;3*+1;;+1;;/p-4
InChIKeyNTFKRBDLZCRUAI-UHFFFAOYSA-J
XLogP-18.23
TPSA224.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.80
LogP ≤ 5-18.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate?
The IUPAC name of tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate (CID 175227648) is tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate.
What is the SMILES notation for tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate?
The canonical SMILES for tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate is O=P([O-])(O)O.O=S(=O)([O-])[O-].O=[N+]([O-])O.[Cl-].[K+].[K+].[K+].[Na+].
What is the InChIKey of tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate?
The InChIKey is NTFKRBDLZCRUAI-UHFFFAOYSA-J. The full InChI is InChI=1S/ClH.3K.HNO3.Na.H3O4P.H2O4S/c;;;;2-1(3)4;;2*1-5(2,3)4/h1H;;;;(H,2,3,4);;(H3,1,2,3,4);(H2,1,2,3,4)/q;3*+1;;+1;;/p-4.
What are the key properties of tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate?
tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate has a molecular weight of 431.80 g/mol, XLogP of -18.23, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;sodium;dihydrogen phosphate;nitric acid;chloride;sulfate is sourced from PubChem (CID 175227648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).