azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride

C4H8ClKNNaO6 — CID 160595070

IUPACazanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride
SMILESO=C([O-])C(O)C(O)C(=O)[O-].[Cl-].[K+].[NH4+].[Na+]
InChIInChI=1S/C4H6O6.ClH.K.H3N.Na/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);1H;;1H3;/q;;+1;;+1/p-2
InChIKeyRDNDNKMESQINFX-UHFFFAOYSA-L
MW263.65 g/mol
LogP-13.40
Rot. Bonds3

About azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride

azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride (PubChem CID 160595070) has the molecular formula C4H8ClKNNaO6 and a molecular weight of 263.65 g/mol. Its IUPAC name is azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride.

Molecular Properties

Compound Nameazanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride
PubChem CID160595070
Molecular FormulaC4H8ClKNNaO6
Molecular Weight263.65 g/mol
Exact Mass262.96
IUPAC Nameazanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride
SMILESO=C([O-])C(O)C(O)C(=O)[O-].[Cl-].[K+].[NH4+].[Na+]
InChIInChI=1S/C4H6O6.ClH.K.H3N.Na/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);1H;;1H3;/q;;+1;;+1/p-2
InChIKeyRDNDNKMESQINFX-UHFFFAOYSA-L
XLogP-13.40
TPSA157.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 5-13.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
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CID 6452716
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CID 90475534
sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608
CID 86636910
CID 86636910
potassium;2,3-dihydroxybutanedioate;zirconium(2+)
CID 19373860
potassium;antimony(3+);bis((2R,3R)-2,3-dihydroxybutanedioate)
CID 90471392
2,3-dihydroxybutanedioate
CID 19608871
tetraaluminum;tris(2,3-dihydroxybutanedioate);oxalate
CID 21451236
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285

Frequently Asked Questions

What is the IUPAC name of azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride?
The IUPAC name of azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride (CID 160595070) is azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride.
What is the SMILES notation for azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride?
The canonical SMILES for azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride is O=C([O-])C(O)C(O)C(=O)[O-].[Cl-].[K+].[NH4+].[Na+].
What is the InChIKey of azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride?
The InChIKey is RDNDNKMESQINFX-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O6.ClH.K.H3N.Na/c5-1(3(7)8)2(6)4(9)10;;;;/h1-2,5-6H,(H,7,8)(H,9,10);1H;;1H3;/q;;+1;;+1/p-2.
What are the key properties of azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride?
azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride has a molecular weight of 263.65 g/mol, XLogP of -13.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride is sourced from PubChem (CID 160595070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).