trisodium;2-hydroxy-3-oxidobutanedioate

C4H3Na3O6 — CID 173301260

IUPACtrisodium;2-hydroxy-3-oxidobutanedioate
SMILESO=C([O-])C([O-])C(O)C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C4H5O6.3Na/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5H,(H,7,8)(H,9,10);;;/q-1;3*+1/p-2
InChIKeyZWRIGVNUXOGJEX-UHFFFAOYSA-L
MW216.03 g/mol
LogP-14.41
Rot. Bonds3

About trisodium;2-hydroxy-3-oxidobutanedioate

trisodium;2-hydroxy-3-oxidobutanedioate (PubChem CID 173301260) has the molecular formula C4H3Na3O6 and a molecular weight of 216.03 g/mol. Its IUPAC name is trisodium;2-hydroxy-3-oxidobutanedioate.

Molecular Properties

Compound Nametrisodium;2-hydroxy-3-oxidobutanedioate
PubChem CID173301260
Molecular FormulaC4H3Na3O6
Molecular Weight216.03 g/mol
Exact Mass215.96
IUPAC Nametrisodium;2-hydroxy-3-oxidobutanedioate
SMILESO=C([O-])C([O-])C(O)C(=O)[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/C4H5O6.3Na/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5H,(H,7,8)(H,9,10);;;/q-1;3*+1/p-2
InChIKeyZWRIGVNUXOGJEX-UHFFFAOYSA-L
XLogP-14.41
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.03
LogP ≤ 5-14.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608
CID 86636910
CID 86636910
bismuth;sodium;2,3-dioxidobutanedioate
CID 10249043
2,3-dihydroxybutanedioate
CID 19608871
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
bis(antimony(3+));bis((2R,3R)-2,3-dioxidobutanedioate)
CID 119081407
azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride
CID 160595070
lithium;sodium;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioate
CID 140580975
azanium;cerium(3+);2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 90475534

Frequently Asked Questions

What is the IUPAC name of trisodium;2-hydroxy-3-oxidobutanedioate?
The IUPAC name of trisodium;2-hydroxy-3-oxidobutanedioate (CID 173301260) is trisodium;2-hydroxy-3-oxidobutanedioate.
What is the SMILES notation for trisodium;2-hydroxy-3-oxidobutanedioate?
The canonical SMILES for trisodium;2-hydroxy-3-oxidobutanedioate is O=C([O-])C([O-])C(O)C(=O)[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-hydroxy-3-oxidobutanedioate?
The InChIKey is ZWRIGVNUXOGJEX-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H5O6.3Na/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5H,(H,7,8)(H,9,10);;;/q-1;3*+1/p-2.
What are the key properties of trisodium;2-hydroxy-3-oxidobutanedioate?
trisodium;2-hydroxy-3-oxidobutanedioate has a molecular weight of 216.03 g/mol, XLogP of -14.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-hydroxy-3-oxidobutanedioate is sourced from PubChem (CID 173301260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).