hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide

C12H11K6NaO15 — CID 19774871

IUPAChexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[OH-]
InChIInChI=1S/2C6H8O7.6K.Na.H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;1H2/q;;7*+1;/p-7
InChIKeyORCYZHKIPVKGEO-UHFFFAOYSA-G
MW652.78 g/mol
LogP-31.65
Rot. Bonds10

About hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide

hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide (PubChem CID 19774871) has the molecular formula C12H11K6NaO15 and a molecular weight of 652.78 g/mol. Its IUPAC name is hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide.

Molecular Properties

Compound Namehexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
PubChem CID19774871
Molecular FormulaC12H11K6NaO15
Molecular Weight652.78 g/mol
Exact Mass651.78
IUPAC Namehexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[OH-]
InChIInChI=1S/2C6H8O7.6K.Na.H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;1H2/q;;7*+1;/p-7
InChIKeyORCYZHKIPVKGEO-UHFFFAOYSA-G
XLogP-31.65
TPSA311.24 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.78
LogP ≤ 5-31.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

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Related Compounds

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sodium;carbanide;2-hydroxypropane-1,2,3-tricarboxylate
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nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
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bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
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aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 23327033
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 hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide?
The IUPAC name of hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide (CID 19774871) is hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide.
What is the SMILES notation for hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide?
The canonical SMILES for hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+].[K+].[Na+].[OH-].
What is the InChIKey of hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide?
The InChIKey is ORCYZHKIPVKGEO-UHFFFAOYSA-G. The full InChI is InChI=1S/2C6H8O7.6K.Na.H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;;;;;1H2/q;;7*+1;/p-7.
What are the key properties of hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide?
hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide has a molecular weight of 652.78 g/mol, XLogP of -31.65, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide is sourced from PubChem (CID 19774871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).