magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid

C9H12MgO10 — CID 87589072

IUPACmagnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Mg+2]
InChIInChI=1S/C6H8O7.C3H6O3.Mg/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(4)3(5)6;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,4H,1H3,(H,5,6);/q;;+2/p-2
InChIKeyRFDQPHUKLVENNT-UHFFFAOYSA-L
MW304.49 g/mol
LogP-4.85
Rot. Bonds6

About magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid

magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid (PubChem CID 87589072) has the molecular formula C9H12MgO10 and a molecular weight of 304.49 g/mol. Its IUPAC name is magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid.

Molecular Properties

Compound Namemagnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid
PubChem CID87589072
Molecular FormulaC9H12MgO10
Molecular Weight304.49 g/mol
Exact Mass304.03
IUPAC Namemagnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid
SMILESCC(O)C(=O)O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Mg+2]
InChIInChI=1S/C6H8O7.C3H6O3.Mg/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(4)3(5)6;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,4H,1H3,(H,5,6);/q;;+2/p-2
InChIKeyRFDQPHUKLVENNT-UHFFFAOYSA-L
XLogP-4.85
TPSA195.32 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 5-4.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

trisodium;2-hydroxypropane-1,2,3-tricarboxylate;tris(2-hydroxypropanoic acid)
CID 173392935
magnesium;3-carboxy-3-hydroxypentanedioate;iron(2+);oxygen(2-)
CID 172769330
3-carboxy-3-hydroxypentanedioate;strontium-87(2+)
CID 172866726
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 173155699
dicalcium;3-carboxy-3-hydroxypentanedioate;carbonate
CID 158635145
aluminum;3-carboxy-3-hydroxypentanedioate;chloride
CID 88516210
gallium;3-carboxy-3-hydroxypentanedioate;hydroxide
CID 6711621
lithium;silver;3-carboxy-3-hydroxypentanedioate
CID 87575243
disodium;carbonic acid;3-carboxy-3-hydroxypentanedioate
CID 173139315
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 173088581
dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 174452959
potassium;sodium;acetic acid;3-carboxy-3-hydroxypentanedioate
CID 173437587

Frequently Asked Questions

What is the IUPAC name of magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid?
The IUPAC name of magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid (CID 87589072) is magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid.
What is the SMILES notation for magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid?
The canonical SMILES for magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid is CC(O)C(=O)O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)O.[Mg+2].
What is the InChIKey of magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid?
The InChIKey is RFDQPHUKLVENNT-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H8O7.C3H6O3.Mg/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(4)3(5)6;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2,4H,1H3,(H,5,6);/q;;+2/p-2.
What are the key properties of magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid?
magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid has a molecular weight of 304.49 g/mol, XLogP of -4.85, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid is sourced from PubChem (CID 87589072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).