magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate

C8H8MgNa2O12 — CID 6452716

IUPACmagnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
SMILESO=C([O-])C(O)C(O)C(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[Mg+2].[Na+].[Na+]
InChIInChI=1S/2C4H6O6.Mg.2Na/c2*5-1(3(7)8)2(6)4(9)10;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;;/q;;+2;2*+1/p-4/t1-,2-;;;;/m1..../s1
InChIKeyNPHUXQNETWXQEM-DGFHWNFOSA-J
MW366.43 g/mol
LogP-15.96
Rot. Bonds6

About magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate

magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate (PubChem CID 6452716) has the molecular formula C8H8MgNa2O12 and a molecular weight of 366.43 g/mol. Its IUPAC name is magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namemagnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
PubChem CID6452716
Molecular FormulaC8H8MgNa2O12
Molecular Weight366.43 g/mol
Exact Mass365.97
IUPAC Namemagnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
SMILESO=C([O-])C(O)C(O)C(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[Mg+2].[Na+].[Na+]
InChIInChI=1S/2C4H6O6.Mg.2Na/c2*5-1(3(7)8)2(6)4(9)10;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;;/q;;+2;2*+1/p-4/t1-,2-;;;;/m1..../s1
InChIKeyNPHUXQNETWXQEM-DGFHWNFOSA-J
XLogP-15.96
TPSA241.44 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 5-15.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608
CID 86636910
CID 86636910
2,3-dihydroxybutanedioate
CID 19608871
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride
CID 160595070
copper;2,3-dihydroxybutanedioate;tetrahydrate
CID 159915205
dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823
azanium;2,3-dihydroxybutanedioate;iron(3+)
CID 22027283
dicalcium;bis(2,3-dihydroxybutanedioate);tetrahydrate
CID 159194146
calcium;carbonic acid;2,3-dihydroxybutanedioate
CID 158616443

Frequently Asked Questions

What is the IUPAC name of magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate?
The IUPAC name of magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate (CID 6452716) is magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate.
What is the SMILES notation for magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate?
The canonical SMILES for magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate is O=C([O-])C(O)C(O)C(=O)[O-].O=C([O-])[C@H](O)[C@@H](O)C(=O)[O-].[Mg+2].[Na+].[Na+].
What is the InChIKey of magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate?
The InChIKey is NPHUXQNETWXQEM-DGFHWNFOSA-J. The full InChI is InChI=1S/2C4H6O6.Mg.2Na/c2*5-1(3(7)8)2(6)4(9)10;;;/h2*1-2,5-6H,(H,7,8)(H,9,10);;;/q;;+2;2*+1/p-4/t1-,2-;;;;/m1..../s1.
What are the key properties of magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate?
magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate has a molecular weight of 366.43 g/mol, XLogP of -15.96, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate is sourced from PubChem (CID 6452716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).