potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate

C7H17KNaO7PS — CID 141142414

IUPACpotassium;sodium;dihydrogen phosphate;heptane-1-sulfonate
SMILESCCCCCCCS(=O)(=O)[O-].O=P([O-])(O)O.[K+].[Na+]
InChIInChI=1S/C7H16O3S.K.Na.H3O4P/c1-2-3-4-5-6-7-11(8,9)10;;;1-5(2,3)4/h2-7H2,1H3,(H,8,9,10);;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyYWMDEQUNAZLEOY-UHFFFAOYSA-L
MW338.34 g/mol
LogP-6.05
Rot. Bonds6

About potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate

potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate (PubChem CID 141142414) has the molecular formula C7H17KNaO7PS and a molecular weight of 338.34 g/mol. Its IUPAC name is potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate.

Molecular Properties

Compound Namepotassium;sodium;dihydrogen phosphate;heptane-1-sulfonate
PubChem CID141142414
Molecular FormulaC7H17KNaO7PS
Molecular Weight338.34 g/mol
Exact Mass338.00
IUPAC Namepotassium;sodium;dihydrogen phosphate;heptane-1-sulfonate
SMILESCCCCCCCS(=O)(=O)[O-].O=P([O-])(O)O.[K+].[Na+]
InChIInChI=1S/C7H16O3S.K.Na.H3O4P/c1-2-3-4-5-6-7-11(8,9)10;;;1-5(2,3)4/h2-7H2,1H3,(H,8,9,10);;;(H3,1,2,3,4)/q;2*+1;/p-2
InChIKeyYWMDEQUNAZLEOY-UHFFFAOYSA-L
XLogP-6.05
TPSA137.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 5-6.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;dodecane-1-sulfonate;phosphoric acid
CID 172782146
potassium tridecane-1-sulfonate
CID 23711351
sodium dodecane-1-sulfonate
CID 23665726
potassium undecane-1-sulfonate
CID 23711356
disodium;dodecane-1-sulfonate;hydroxide
CID 141290299
lithium hexane-1-sulfonate
CID 87141758
CID 21277428
CID 21277428
cesium hexane-1-sulfonate
CID 141317548
silver pentadecane-1-sulfonate
CID 102573896
silver decane-1-sulfonate
CID 18615614
tris(heptane-1-sulfonate);lanthanum(3+)
CID 163364171
aluminum tris(octadecane-1-sulfonate)
CID 158491370

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate?
The IUPAC name of potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate (CID 141142414) is potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate.
What is the SMILES notation for potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate?
The canonical SMILES for potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate is CCCCCCCS(=O)(=O)[O-].O=P([O-])(O)O.[K+].[Na+].
What is the InChIKey of potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate?
The InChIKey is YWMDEQUNAZLEOY-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H16O3S.K.Na.H3O4P/c1-2-3-4-5-6-7-11(8,9)10;;;1-5(2,3)4/h2-7H2,1H3,(H,8,9,10);;;(H3,1,2,3,4)/q;2*+1;/p-2.
What are the key properties of potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate?
potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate has a molecular weight of 338.34 g/mol, XLogP of -6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;dihydrogen phosphate;heptane-1-sulfonate is sourced from PubChem (CID 141142414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).