potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate

C2H20ClKNa2O12S — CID 174241063

IUPACpotassium;disodium;hydride;sulfo acetate;chloride;heptahydrate
SMILESCC(=O)OS(=O)(=O)O.O.O.O.O.O.O.O.[Cl-].[H-].[H-].[K+].[Na+].[Na+]
InChIInChI=1S/C2H4O5S.ClH.K.2Na.7H2O.2H/c1-2(3)7-8(4,5)6;;;;;;;;;;;;;/h1H3,(H,4,5,6);1H;;;;7*1H2;;/q;;3*+1;;;;;;;;2*-1/p-1
InChIKeyGNJRTRMAWVJBQB-UHFFFAOYSA-M
MW388.77 g/mol
LogP-18.18
Rot. Bonds1

About potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate

potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate (PubChem CID 174241063) has the molecular formula C2H20ClKNa2O12S and a molecular weight of 388.77 g/mol. Its IUPAC name is potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate.

Molecular Properties

Compound Namepotassium;disodium;hydride;sulfo acetate;chloride;heptahydrate
PubChem CID174241063
Molecular FormulaC2H20ClKNa2O12S
Molecular Weight388.77 g/mol
Exact Mass387.98
IUPAC Namepotassium;disodium;hydride;sulfo acetate;chloride;heptahydrate
SMILESCC(=O)OS(=O)(=O)O.O.O.O.O.O.O.O.[Cl-].[H-].[H-].[K+].[Na+].[Na+]
InChIInChI=1S/C2H4O5S.ClH.K.2Na.7H2O.2H/c1-2(3)7-8(4,5)6;;;;;;;;;;;;;/h1H3,(H,4,5,6);1H;;;;7*1H2;;/q;;3*+1;;;;;;;;2*-1/p-1
InChIKeyGNJRTRMAWVJBQB-UHFFFAOYSA-M
XLogP-18.18
TPSA301.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.77
LogP ≤ 5-18.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;sulfo acetate
CID 173308098
tetralithium;disulfo carbonate;hydride
CID 174843261
sodium;hydride;sulfo 2,2-dimethylpropanoate
CID 174143943
zinc sulfo carbonate
CID 23463769
dicalcium;disulfo carbonate;hydride;zinc
CID 174696696
dicalcium;disulfo carbonate;hydride;manganese
CID 175398142
potassium;sodium;alumane;hydride;sulfuric acid;tetracosahydrate
CID 173345669
bis(acetyloxysulfonyl) butanedioate
CID 118268236
dicalcium;dipotassium;disulfo 2,3-dihydroxybutanedioate;hydride
CID 175079208
methanesulfonic acid;methyl acetate
CID 172690689
sodium;hydride;iodo acetate;trihydrate
CID 174829921
disulfo carbonate;bis(λ2-plumbane)
CID 173043440

Frequently Asked Questions

What is the IUPAC name of potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate?
The IUPAC name of potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate (CID 174241063) is potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate.
What is the SMILES notation for potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate?
The canonical SMILES for potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate is CC(=O)OS(=O)(=O)O.O.O.O.O.O.O.O.[Cl-].[H-].[H-].[K+].[Na+].[Na+].
What is the InChIKey of potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate?
The InChIKey is GNJRTRMAWVJBQB-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H4O5S.ClH.K.2Na.7H2O.2H/c1-2(3)7-8(4,5)6;;;;;;;;;;;;;/h1H3,(H,4,5,6);1H;;;;7*1H2;;/q;;3*+1;;;;;;;;2*-1/p-1.
What are the key properties of potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate?
potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate has a molecular weight of 388.77 g/mol, XLogP of -18.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;disodium;hydride;sulfo acetate;chloride;heptahydrate is sourced from PubChem (CID 174241063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).