gallium;3-carboxy-3-hydroxypentanedioate;hydroxide

C6H7GaO8 — CID 6711621

IUPACgallium;3-carboxy-3-hydroxypentanedioate;hydroxide
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Ga+3].[OH-]
InChIInChI=1S/C6H8O7.Ga.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H2/q;+3;/p-3
InChIKeyYRWRQUULVGSHPM-UHFFFAOYSA-K
MW276.84 g/mol
LogP-4.48
Rot. Bonds5

About gallium;3-carboxy-3-hydroxypentanedioate;hydroxide

gallium;3-carboxy-3-hydroxypentanedioate;hydroxide (PubChem CID 6711621) has the molecular formula C6H7GaO8 and a molecular weight of 276.84 g/mol. Its IUPAC name is gallium;3-carboxy-3-hydroxypentanedioate;hydroxide.

Molecular Properties

Compound Namegallium;3-carboxy-3-hydroxypentanedioate;hydroxide
PubChem CID6711621
Molecular FormulaC6H7GaO8
Molecular Weight276.84 g/mol
Exact Mass275.94
IUPAC Namegallium;3-carboxy-3-hydroxypentanedioate;hydroxide
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Ga+3].[OH-]
InChIInChI=1S/C6H8O7.Ga.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H2/q;+3;/p-3
InChIKeyYRWRQUULVGSHPM-UHFFFAOYSA-K
XLogP-4.48
TPSA167.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.84
LogP ≤ 5-4.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze gallium;3-carboxy-3-hydroxypentanedioate;hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-carboxy-3-hydroxypentanedioate;strontium-87(2+)
CID 172866726
lithium;silver;3-carboxy-3-hydroxypentanedioate
CID 87575243
dicalcium;3-carboxy-3-hydroxypentanedioate;carbonate
CID 158635145
aluminum;3-carboxy-3-hydroxypentanedioate;chloride
CID 88516210
disodium;carbonic acid;3-carboxy-3-hydroxypentanedioate
CID 173139315
magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)
CID 172769330
calcium;sodium;3-carboxy-3-hydroxypentanedioate;chloride;hydrochloride
CID 172823091
calcium;3-carboxy-3-hydroxypentanedioate;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 161442924
diazanium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 158907064
sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 23689315
potassium;carbonic acid;3-carboxy-3,5-dihydroxy-5-oxopentanoate
CID 158416399
sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173301811

Frequently Asked Questions

What is the IUPAC name of gallium;3-carboxy-3-hydroxypentanedioate;hydroxide?
The IUPAC name of gallium;3-carboxy-3-hydroxypentanedioate;hydroxide (CID 6711621) is gallium;3-carboxy-3-hydroxypentanedioate;hydroxide.
What is the SMILES notation for gallium;3-carboxy-3-hydroxypentanedioate;hydroxide?
The canonical SMILES for gallium;3-carboxy-3-hydroxypentanedioate;hydroxide is O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Ga+3].[OH-].
What is the InChIKey of gallium;3-carboxy-3-hydroxypentanedioate;hydroxide?
The InChIKey is YRWRQUULVGSHPM-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.Ga.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H2/q;+3;/p-3.
What are the key properties of gallium;3-carboxy-3-hydroxypentanedioate;hydroxide?
gallium;3-carboxy-3-hydroxypentanedioate;hydroxide has a molecular weight of 276.84 g/mol, XLogP of -4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for gallium;3-carboxy-3-hydroxypentanedioate;hydroxide is sourced from PubChem (CID 6711621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).