potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride

C12H15AuKO13 — CID 174888423

IUPACpotassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride
SMILESO=C(O)CC(O)(CC(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O.[Au].[H-].[K+]
InChIInChI=1S/C12H14O13.Au.K.H/c13-5(14)1-11(23,9(19)20)3-7(17)25-8(18)4-12(24,10(21)22)2-6(15)16;;;/h23-24H,1-4H2,(H,13,14)(H,15,16)(H,19,20)(H,21,22);;;/q;;+1;-1
InChIKeyCZWZOPCDQMANDS-UHFFFAOYSA-N
MW603.30 g/mol
LogP-5.47
Rot. Bonds10

About potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride

potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride (PubChem CID 174888423) has the molecular formula C12H15AuKO13 and a molecular weight of 603.30 g/mol. Its IUPAC name is potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride.

Molecular Properties

Compound Namepotassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride
PubChem CID174888423
Molecular FormulaC12H15AuKO13
Molecular Weight603.30 g/mol
Exact Mass602.98
IUPAC Namepotassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride
SMILESO=C(O)CC(O)(CC(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O.[Au].[H-].[K+]
InChIInChI=1S/C12H14O13.Au.K.H/c13-5(14)1-11(23,9(19)20)3-7(17)25-8(18)4-12(24,10(21)22)2-6(15)16;;;/h23-24H,1-4H2,(H,13,14)(H,15,16)(H,19,20)(H,21,22);;;/q;;+1;-1
InChIKeyCZWZOPCDQMANDS-UHFFFAOYSA-N
XLogP-5.47
TPSA233.03 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.30
LogP ≤ 5-5.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;hydrate
CID 87357727
magnesium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride
CID 173155147
2-[2-(3,3-dimethylbutanoyloxy)-2-oxoethyl]-2-hydroxybutanedioic acid
CID 87570353
potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 173087123
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482
potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium
CID 173322297
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 174842577
hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate
CID 173194055
lithium;potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173039774
disodium;2-(2-carboxyoxy-2-oxoethyl)-2-hydroxybutanedioic acid;hydride;sulfuric acid
CID 173287176
dicalcium;2-[2-[3-carboxy-5-[4-[3-carboxy-5-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-3-hydroxy-5-oxopentanoyl]oxy-3-hydroxy-4-oxobutanoyl]oxy-3-hydroxy-5-oxopentanoyl]oxy-2-oxoethyl]-2-hydroxybutanedioic acid;hydride
CID 174933321
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982

Frequently Asked Questions

What is the IUPAC name of potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride?
The IUPAC name of potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride (CID 174888423) is potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride.
What is the SMILES notation for potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride?
The canonical SMILES for potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride is O=C(O)CC(O)(CC(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O)C(=O)O.[Au].[H-].[K+].
What is the InChIKey of potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride?
The InChIKey is CZWZOPCDQMANDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O13.Au.K.H/c13-5(14)1-11(23,9(19)20)3-7(17)25-8(18)4-12(24,10(21)22)2-6(15)16;;;/h23-24H,1-4H2,(H,13,14)(H,15,16)(H,19,20)(H,21,22);;;/q;;+1;-1.
What are the key properties of potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride?
potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride has a molecular weight of 603.30 g/mol, XLogP of -5.47, 10 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-[2-(3,4-dicarboxy-3-hydroxybutanoyl)oxy-2-oxoethyl]-2-hydroxybutanedioic acid;gold;hydride is sourced from PubChem (CID 174888423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).