trisodium;2-(carboxymethoxy)butanedioic acid;hydride

C6H11Na3O7 — CID 173014091

IUPACtrisodium;2-(carboxymethoxy)butanedioic acid;hydride
SMILESO=C(O)COC(CC(=O)O)C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.3Na.3H/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;3*-1
InChIKeyGVQIFSHKAHIFIS-UHFFFAOYSA-N
MW264.12 g/mol
LogP-9.64
Rot. Bonds6

About trisodium;2-(carboxymethoxy)butanedioic acid;hydride

trisodium;2-(carboxymethoxy)butanedioic acid;hydride (PubChem CID 173014091) has the molecular formula C6H11Na3O7 and a molecular weight of 264.12 g/mol. Its IUPAC name is trisodium;2-(carboxymethoxy)butanedioic acid;hydride.

Molecular Properties

Compound Nametrisodium;2-(carboxymethoxy)butanedioic acid;hydride
PubChem CID173014091
Molecular FormulaC6H11Na3O7
Molecular Weight264.12 g/mol
Exact Mass264.02
IUPAC Nametrisodium;2-(carboxymethoxy)butanedioic acid;hydride
SMILESO=C(O)COC(CC(=O)O)C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H8O7.3Na.3H/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;3*-1
InChIKeyGVQIFSHKAHIFIS-UHFFFAOYSA-N
XLogP-9.64
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 5-9.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trisodium;2-(carboxymethoxy)butanedioic acid;hydride?
The IUPAC name of trisodium;2-(carboxymethoxy)butanedioic acid;hydride (CID 173014091) is trisodium;2-(carboxymethoxy)butanedioic acid;hydride.
What is the SMILES notation for trisodium;2-(carboxymethoxy)butanedioic acid;hydride?
The canonical SMILES for trisodium;2-(carboxymethoxy)butanedioic acid;hydride is O=C(O)COC(CC(=O)O)C(=O)O.[H-].[H-].[H-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-(carboxymethoxy)butanedioic acid;hydride?
The InChIKey is GVQIFSHKAHIFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.3Na.3H/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;3*-1.
What are the key properties of trisodium;2-(carboxymethoxy)butanedioic acid;hydride?
trisodium;2-(carboxymethoxy)butanedioic acid;hydride has a molecular weight of 264.12 g/mol, XLogP of -9.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-(carboxymethoxy)butanedioic acid;hydride is sourced from PubChem (CID 173014091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).