dipotassium;hydride;2-sulfohexanedioic acid

C6H12K2O7S — CID 173413962

IUPACdipotassium;hydride;2-sulfohexanedioic acid
SMILESO=C(O)CCCC(C(=O)O)S(=O)(=O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C6H10O7S.2K.2H/c7-5(8)3-1-2-4(6(9)10)14(11,12)13;;;;/h4H,1-3H2,(H,7,8)(H,9,10)(H,11,12,13);;;;/q;2*+1;2*-1
InChIKeyOGASJMPCUGJMEH-UHFFFAOYSA-N
MW306.42 g/mol
LogP-6.18
Rot. Bonds6

About dipotassium;hydride;2-sulfohexanedioic acid

dipotassium;hydride;2-sulfohexanedioic acid (PubChem CID 173413962) has the molecular formula C6H12K2O7S and a molecular weight of 306.42 g/mol. Its IUPAC name is dipotassium;hydride;2-sulfohexanedioic acid.

Molecular Properties

Compound Namedipotassium;hydride;2-sulfohexanedioic acid
PubChem CID173413962
Molecular FormulaC6H12K2O7S
Molecular Weight306.42 g/mol
Exact Mass305.96
IUPAC Namedipotassium;hydride;2-sulfohexanedioic acid
SMILESO=C(O)CCCC(C(=O)O)S(=O)(=O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C6H10O7S.2K.2H/c7-5(8)3-1-2-4(6(9)10)14(11,12)13;;;;/h4H,1-3H2,(H,7,8)(H,9,10)(H,11,12,13);;;;/q;2*+1;2*-1
InChIKeyOGASJMPCUGJMEH-UHFFFAOYSA-N
XLogP-6.18
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 5-6.18
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

sodium 1,6-dihydroxy-1,6-dioxohexane-2-sulfonate
CID 174982534
2-sulfohexanoic acid
CID 71380963
potassium;hydride;2-sulfobutanedioic acid
CID 173197982
5-amino-5-sulfopentanoic acid
CID 174439740
16-dimethylarsanyl-2-sulfohexadecanoic acid
CID 172841380
disodium;2-aminohexanedioic acid;hydride
CID 174674537
2-(3-hydroxypropyl)hexanedioic acid
CID 22731110
2-sulfobutanedioic acid;hydrate
CID 87187855
2-sulfobutanedioic acid;undec-10-enoic acid
CID 87708260
4-amino-4-oxobutanoic acid;2-sulfobutanedioic acid
CID 157095535
disodium;hydride;phosphoric acid;2-sulfobutanedioic acid
CID 174265305
5,5-dihydroxypentanoic acid
CID 57194054

Frequently Asked Questions

What is the IUPAC name of dipotassium;hydride;2-sulfohexanedioic acid?
The IUPAC name of dipotassium;hydride;2-sulfohexanedioic acid (CID 173413962) is dipotassium;hydride;2-sulfohexanedioic acid.
What is the SMILES notation for dipotassium;hydride;2-sulfohexanedioic acid?
The canonical SMILES for dipotassium;hydride;2-sulfohexanedioic acid is O=C(O)CCCC(C(=O)O)S(=O)(=O)O.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;hydride;2-sulfohexanedioic acid?
The InChIKey is OGASJMPCUGJMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O7S.2K.2H/c7-5(8)3-1-2-4(6(9)10)14(11,12)13;;;;/h4H,1-3H2,(H,7,8)(H,9,10)(H,11,12,13);;;;/q;2*+1;2*-1.
What are the key properties of dipotassium;hydride;2-sulfohexanedioic acid?
dipotassium;hydride;2-sulfohexanedioic acid has a molecular weight of 306.42 g/mol, XLogP of -6.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;hydride;2-sulfohexanedioic acid is sourced from PubChem (CID 173413962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).