potassium;hydride;2-sulfobutanedioic acid

C4H7KO7S — CID 173197982

IUPACpotassium;hydride;2-sulfobutanedioic acid
SMILESO=C(O)CC(C(=O)O)S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C4H6O7S.K.H/c5-3(6)1-2(4(7)8)12(9,10)11;;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;/q;+1;-1
InChIKeyFIMDKMNWYJHZHM-UHFFFAOYSA-N
MW238.26 g/mol
LogP-4.08
Rot. Bonds4

About potassium;hydride;2-sulfobutanedioic acid

potassium;hydride;2-sulfobutanedioic acid (PubChem CID 173197982) has the molecular formula C4H7KO7S and a molecular weight of 238.26 g/mol. Its IUPAC name is potassium;hydride;2-sulfobutanedioic acid.

Molecular Properties

Compound Namepotassium;hydride;2-sulfobutanedioic acid
PubChem CID173197982
Molecular FormulaC4H7KO7S
Molecular Weight238.26 g/mol
Exact Mass237.95
IUPAC Namepotassium;hydride;2-sulfobutanedioic acid
SMILESO=C(O)CC(C(=O)O)S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C4H6O7S.K.H/c5-3(6)1-2(4(7)8)12(9,10)11;;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;/q;+1;-1
InChIKeyFIMDKMNWYJHZHM-UHFFFAOYSA-N
XLogP-4.08
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 5-4.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-sulfobutanedioic acid;hydrate
CID 87187855
disodium;hydride;phosphoric acid;2-sulfobutanedioic acid
CID 174265305
propane-1,2-diamine;bis(2-sulfobutanedioic acid)
CID 23212052
prop-2-enoic acid;2-sulfobutanedioic acid
CID 88775821
cyanamide;2-sulfobutanedioic acid
CID 172826907
disodium;hydrogen phosphate;2-sulfobutanedioic acid
CID 172737600
4-amino-4-oxobutanoic acid;2-sulfobutanedioic acid
CID 157095535
2-aminoethanesulfonic acid;methane;2-sulfobutanedioic acid
CID 174886730
2-hydroxyethyl(trimethyl)azanium;2-sulfobutanedioic acid
CID 135221506
2-hydroxysulfonothioylbutanedioic acid
CID 159845011
barium(2+);2-sulfobutanedioic acid;bis(tridecane)
CID 158468828
calcium;bis(octane);2-sulfobutanedioic acid
CID 87143470

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-sulfobutanedioic acid?
The IUPAC name of potassium;hydride;2-sulfobutanedioic acid (CID 173197982) is potassium;hydride;2-sulfobutanedioic acid.
What is the SMILES notation for potassium;hydride;2-sulfobutanedioic acid?
The canonical SMILES for potassium;hydride;2-sulfobutanedioic acid is O=C(O)CC(C(=O)O)S(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;2-sulfobutanedioic acid?
The InChIKey is FIMDKMNWYJHZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O7S.K.H/c5-3(6)1-2(4(7)8)12(9,10)11;;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);;/q;+1;-1.
What are the key properties of potassium;hydride;2-sulfobutanedioic acid?
potassium;hydride;2-sulfobutanedioic acid has a molecular weight of 238.26 g/mol, XLogP of -4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-sulfobutanedioic acid is sourced from PubChem (CID 173197982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).