dipotassium;sodium;2-(carboxylatomethoxy)butanedioate

C6H5K2NaO7 — CID 172785567

IUPACdipotassium;sodium;2-(carboxylatomethoxy)butanedioate
SMILESO=C([O-])COC(CC(=O)[O-])C(=O)[O-].[K+].[K+].[Na+]
InChIInChI=1S/C6H8O7.2K.Na/c7-4(8)1-3(6(11)12)13-2-5(9)10;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKeyOVPKSCUHIDKJBY-UHFFFAOYSA-K
MW290.29 g/mol
LogP-13.98
Rot. Bonds6

About dipotassium;sodium;2-(carboxylatomethoxy)butanedioate

dipotassium;sodium;2-(carboxylatomethoxy)butanedioate (PubChem CID 172785567) has the molecular formula C6H5K2NaO7 and a molecular weight of 290.29 g/mol. Its IUPAC name is dipotassium;sodium;2-(carboxylatomethoxy)butanedioate.

Molecular Properties

Compound Namedipotassium;sodium;2-(carboxylatomethoxy)butanedioate
PubChem CID172785567
Molecular FormulaC6H5K2NaO7
Molecular Weight290.29 g/mol
Exact Mass289.92
IUPAC Namedipotassium;sodium;2-(carboxylatomethoxy)butanedioate
SMILESO=C([O-])COC(CC(=O)[O-])C(=O)[O-].[K+].[K+].[Na+]
InChIInChI=1S/C6H8O7.2K.Na/c7-4(8)1-3(6(11)12)13-2-5(9)10;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKeyOVPKSCUHIDKJBY-UHFFFAOYSA-K
XLogP-13.98
TPSA129.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 5-13.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

dimagnesium bis(2-(carboxymethoxy)butanedioate)
CID 160715179
barium(2+);2-(carboxylatomethoxy)butanoate
CID 87916357
tetrasodium bis(2-[carboxy(sulfo)methoxy]butanedioate)
CID 173303437
tetrasodium;2-(carboxymethyl)-2-(1,2-dicarboxylatoethoxy)butanedioate
CID 139635071
dipotassium;2-(diaminomethylideneamino)butanedioate
CID 169227239
disodium;(2S)-2-hydroxybutanedioate
CID 6097189
dilithium;2-(2-methylprop-2-enoyloxy)butanedioate
CID 122611626
azanium;sodium;(2S)-2-hydroxybutanedioate
CID 141157633
disodium;2-aminobutanedioate
CID 172873588
dipotassium;2-methylbutanedioate
CID 87067134
sodium;2-hydroxybutanedioate;dihydrate
CID 22761792
potassium;sodium;2-sulfobutanedioate
CID 159603821

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;2-(carboxylatomethoxy)butanedioate?
The IUPAC name of dipotassium;sodium;2-(carboxylatomethoxy)butanedioate (CID 172785567) is dipotassium;sodium;2-(carboxylatomethoxy)butanedioate.
What is the SMILES notation for dipotassium;sodium;2-(carboxylatomethoxy)butanedioate?
The canonical SMILES for dipotassium;sodium;2-(carboxylatomethoxy)butanedioate is O=C([O-])COC(CC(=O)[O-])C(=O)[O-].[K+].[K+].[Na+].
What is the InChIKey of dipotassium;sodium;2-(carboxylatomethoxy)butanedioate?
The InChIKey is OVPKSCUHIDKJBY-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.2K.Na/c7-4(8)1-3(6(11)12)13-2-5(9)10;;;/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3.
What are the key properties of dipotassium;sodium;2-(carboxylatomethoxy)butanedioate?
dipotassium;sodium;2-(carboxylatomethoxy)butanedioate has a molecular weight of 290.29 g/mol, XLogP of -13.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;sodium;2-(carboxylatomethoxy)butanedioate is sourced from PubChem (CID 172785567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).