tetrasodium;2-oxidopropane-1,2,3-tricarboxylate

C6H4Na4O7 — CID 173195070

IUPACtetrasodium;2-oxidopropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H7O7.4Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q-1;4*+1/p-3
InChIKeyGLXOJXGQWBMHLX-UHFFFAOYSA-K
MW280.05 g/mol
LogP-17.87
Rot. Bonds5

About tetrasodium;2-oxidopropane-1,2,3-tricarboxylate

tetrasodium;2-oxidopropane-1,2,3-tricarboxylate (PubChem CID 173195070) has the molecular formula C6H4Na4O7 and a molecular weight of 280.05 g/mol. Its IUPAC name is tetrasodium;2-oxidopropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametetrasodium;2-oxidopropane-1,2,3-tricarboxylate
PubChem CID173195070
Molecular FormulaC6H4Na4O7
Molecular Weight280.05 g/mol
Exact Mass279.95
IUPAC Nametetrasodium;2-oxidopropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C6H7O7.4Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q-1;4*+1/p-3
InChIKeyGLXOJXGQWBMHLX-UHFFFAOYSA-K
XLogP-17.87
TPSA143.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 5-17.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxyethyl(trimethyl)azanium;iron(3+);2-oxidopropane-1,2,3-tricarboxylate;trihydrate
CID 46174080
tricopper;2-oxidopropane-1,2,3-tricarboxylate;bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
CID 163360584
aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 23327033
disodium;2,2-bis(sulfanyl)butanedioate
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nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
sodium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
CID 172852177
sodium;carbanide;2-hydroxypropane-1,2,3-tricarboxylate
CID 23509131
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
sodium;2-hydroxypropane-1,2,3-tricarboxylate;thorium(4+)
CID 3056942
trisodium;2-(hydroxymethyl)propane-1,2,3-tricarboxylate
CID 59574950
trisodium;hydroxylamine;2-hydroxypropane-1,2,3-tricarboxylate
CID 159887445
hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
CID 19774871

Frequently Asked Questions

What is the IUPAC name of tetrasodium;2-oxidopropane-1,2,3-tricarboxylate?
The IUPAC name of tetrasodium;2-oxidopropane-1,2,3-tricarboxylate (CID 173195070) is tetrasodium;2-oxidopropane-1,2,3-tricarboxylate.
What is the SMILES notation for tetrasodium;2-oxidopropane-1,2,3-tricarboxylate?
The canonical SMILES for tetrasodium;2-oxidopropane-1,2,3-tricarboxylate is O=C([O-])CC([O-])(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;2-oxidopropane-1,2,3-tricarboxylate?
The InChIKey is GLXOJXGQWBMHLX-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H7O7.4Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;;/h1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;/q-1;4*+1/p-3.
What are the key properties of tetrasodium;2-oxidopropane-1,2,3-tricarboxylate?
tetrasodium;2-oxidopropane-1,2,3-tricarboxylate has a molecular weight of 280.05 g/mol, XLogP of -17.87, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;2-oxidopropane-1,2,3-tricarboxylate is sourced from PubChem (CID 173195070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).