dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate

C6H5K2NaO7 — CID 15251596

IUPACdipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[Na+]
InChIInChI=1S/C6H8O7.2K.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKeyWAURUVYPBKAYTJ-UHFFFAOYSA-K
MW290.28 g/mol
LogP-14.24
Rot. Bonds5

About dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate

dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 15251596) has the molecular formula C6H5K2NaO7 and a molecular weight of 290.28 g/mol. Its IUPAC name is dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Namedipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID15251596
Molecular FormulaC6H5K2NaO7
Molecular Weight290.28 g/mol
Exact Mass289.92
IUPAC Namedipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[Na+]
InChIInChI=1S/C6H8O7.2K.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKeyWAURUVYPBKAYTJ-UHFFFAOYSA-K
XLogP-14.24
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-14.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
CID 19774871
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
sodium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
CID 172852177
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
CID 19784307
aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 23327033
sodium;carbanide;2-hydroxypropane-1,2,3-tricarboxylate
CID 23509131
sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)
CID 3056942
potassium;trisodium;2-hydroxypropane-1,2,3-tricarboxylate;acetate;dihydrate
CID 173181052
pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate
CID 173491967
trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate
CID 159887445
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924

Frequently Asked Questions

What is the IUPAC name of dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate (CID 15251596) is dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[Na+].
What is the InChIKey of dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is WAURUVYPBKAYTJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.2K.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,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-hydroxypropane-1,2,3-tricarboxylate?
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 290.28 g/mol, XLogP of -14.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 15251596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).