sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)

C6H6CuNaO7 — CID 139596389

IUPACsodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)
SMILESO=C([O-])CC(O)(CC(=O)O)C(=O)[O-].[Cu+].[Na+]
InChIInChI=1S/C6H8O7.Cu.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;2*+1/p-2
InChIKeyOFFXOAFOXHNZRU-UHFFFAOYSA-L
MW276.64 g/mol
LogP-6.92
Rot. Bonds5

About sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)

sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+) (PubChem CID 139596389) has the molecular formula C6H6CuNaO7 and a molecular weight of 276.64 g/mol. Its IUPAC name is sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+).

Molecular Properties

Compound Namesodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)
PubChem CID139596389
Molecular FormulaC6H6CuNaO7
Molecular Weight276.64 g/mol
Exact Mass275.93
IUPAC Namesodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)
SMILESO=C([O-])CC(O)(CC(=O)O)C(=O)[O-].[Cu+].[Na+]
InChIInChI=1S/C6H8O7.Cu.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;2*+1/p-2
InChIKeyOFFXOAFOXHNZRU-UHFFFAOYSA-L
XLogP-6.92
TPSA137.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.64
LogP ≤ 5-6.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tris(2-(carboxymethyl)-2-hydroxybutanedioate);bis(iron(3+))
CID 173170506
potassium;sodium;azane;2-(carboxymethyl)-2-hydroxybutanedioate
CID 174712440
magnesium 2-(carboxymethyl)-2-hydroxybutanedioate
CID 91886505
aluminum;azane;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-(carboxymethyl)-2-hydroxybutanedioate
CID 173284273
trisodium;2-hydroxypropane-1,2,3-tricarboxylate;tris(2-hydroxypropane-1,2,3-tricarboxylic acid);trihydrate
CID 173324118
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
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
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
sodium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
CID 172852177
sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)
CID 3056942

Frequently Asked Questions

What is the IUPAC name of sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)?
The IUPAC name of sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+) (CID 139596389) is sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+).
What is the SMILES notation for sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)?
The canonical SMILES for sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+) is O=C([O-])CC(O)(CC(=O)O)C(=O)[O-].[Cu+].[Na+].
What is the InChIKey of sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)?
The InChIKey is OFFXOAFOXHNZRU-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H8O7.Cu.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;2*+1/p-2.
What are the key properties of sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+)?
sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+) has a molecular weight of 276.64 g/mol, XLogP of -6.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(carboxymethyl)-2-hydroxybutanedioate;copper(1+) is sourced from PubChem (CID 139596389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).