potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate

C6H9KNNaO7 — CID 174712440

IUPACpotassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate
SMILESN.O=C([O-])CC(O)(CC(=O)O)C(=O)[O-].[K+].[Na+]
InChIInChI=1S/C6H8O7.K.H3N.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);;1H3;/q;+1;;+1/p-2
InChIKeyJXFBRDANSAFJQR-UHFFFAOYSA-L
MW269.23 g/mol
LogP-9.75
Rot. Bonds5

About potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate

potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate (PubChem CID 174712440) has the molecular formula C6H9KNNaO7 and a molecular weight of 269.23 g/mol. Its IUPAC name is potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate.

Molecular Properties

Compound Namepotassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate
PubChem CID174712440
Molecular FormulaC6H9KNNaO7
Molecular Weight269.23 g/mol
Exact Mass268.99
IUPAC Namepotassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate
SMILESN.O=C([O-])CC(O)(CC(=O)O)C(=O)[O-].[K+].[Na+]
InChIInChI=1S/C6H8O7.K.H3N.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);;1H3;/q;+1;;+1/p-2
InChIKeyJXFBRDANSAFJQR-UHFFFAOYSA-L
XLogP-9.75
TPSA172.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 5-9.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

aluminum;azane;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-(carboxymethyl)-2-hydroxybutanedioate
CID 173284273
sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)
CID 139596389
tris(2-(carboxymethyl)-2-hydroxybutanedioate);bis(iron(3+))
CID 173170506
magnesium 2-(carboxymethyl)-2-hydroxybutanedioate
CID 91886505
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
trisodium;2-hydroxypropane-1,2,3-tricarboxylate;tris(2-hydroxypropane-1,2,3-tricarboxylic acid);trihydrate
CID 173324118
potassium;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;phosphane
CID 172750704
hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
CID 19774871
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-hydroxypropane-1,2,3-tricarboxylate;2-hydroxypropane-1,2,3-tricarboxylic acid;titanium(4+)
CID 158572347
trizinc;bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173326194
copper bis(2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate)
CID 159582063
azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))
CID 173362553

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate?
The IUPAC name of potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate (CID 174712440) is potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate.
What is the SMILES notation for potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate?
The canonical SMILES for potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate is N.O=C([O-])CC(O)(CC(=O)O)C(=O)[O-].[K+].[Na+].
What is the InChIKey of potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate?
The InChIKey is JXFBRDANSAFJQR-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H8O7.K.H3N.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);;1H3;/q;+1;;+1/p-2.
What are the key properties of potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate?
potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate has a molecular weight of 269.23 g/mol, XLogP of -9.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate is sourced from PubChem (CID 174712440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).