sodium;2,3-dihydroxybutanedioate;nickel(2+)

C4H4NaNiO6+ — CID 159221608

IUPACsodium;2,3-dihydroxybutanedioate;nickel(2+)
SMILESO=C([O-])C(O)C(O)C(=O)[O-].[Na+].[Ni+2]
InChIInChI=1S/C4H6O6.Na.Ni/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;+1;+2/p-2
InChIKeyKRTKVXWVZJEQKI-UHFFFAOYSA-L
MW229.75 g/mol
LogP-7.79
Rot. Bonds3

About sodium;2,3-dihydroxybutanedioate;nickel(2+)

sodium;2,3-dihydroxybutanedioate;nickel(2+) (PubChem CID 159221608) has the molecular formula C4H4NaNiO6+ and a molecular weight of 229.75 g/mol. Its IUPAC name is sodium;2,3-dihydroxybutanedioate;nickel(2+).

Molecular Properties

Compound Namesodium;2,3-dihydroxybutanedioate;nickel(2+)
PubChem CID159221608
Molecular FormulaC4H4NaNiO6+
Molecular Weight229.75 g/mol
Exact Mass228.93
IUPAC Namesodium;2,3-dihydroxybutanedioate;nickel(2+)
SMILESO=C([O-])C(O)C(O)C(=O)[O-].[Na+].[Ni+2]
InChIInChI=1S/C4H6O6.Na.Ni/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;+1;+2/p-2
InChIKeyKRTKVXWVZJEQKI-UHFFFAOYSA-L
XLogP-7.79
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 5-7.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 6452716
CID 86636910
CID 86636910
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
azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride
CID 160595070
dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823
copper;2,3-dihydroxybutanedioate;tetrahydrate
CID 159915205
azanium;2,3-dihydroxybutanedioate;iron(3+)
CID 22027283
calcium;carbonic acid;2,3-dihydroxybutanedioate
CID 158616443
dicalcium;bis(2,3-dihydroxybutanedioate);tetrahydrate
CID 159194146

Frequently Asked Questions

What is the IUPAC name of sodium;2,3-dihydroxybutanedioate;nickel(2+)?
The IUPAC name of sodium;2,3-dihydroxybutanedioate;nickel(2+) (CID 159221608) is sodium;2,3-dihydroxybutanedioate;nickel(2+).
What is the SMILES notation for sodium;2,3-dihydroxybutanedioate;nickel(2+)?
The canonical SMILES for sodium;2,3-dihydroxybutanedioate;nickel(2+) is O=C([O-])C(O)C(O)C(=O)[O-].[Na+].[Ni+2].
What is the InChIKey of sodium;2,3-dihydroxybutanedioate;nickel(2+)?
The InChIKey is KRTKVXWVZJEQKI-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O6.Na.Ni/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;+1;+2/p-2.
What are the key properties of sodium;2,3-dihydroxybutanedioate;nickel(2+)?
sodium;2,3-dihydroxybutanedioate;nickel(2+) has a molecular weight of 229.75 g/mol, XLogP of -7.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2,3-dihydroxybutanedioate;nickel(2+) is sourced from PubChem (CID 159221608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).