3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)

C6H7O8Y2- — CID 58097663

IUPAC3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)
SMILESO=C([O-])CC(O)(C(=O)O)C(O)C(=O)O.[Y].[Y]
InChIInChI=1S/C6H8O8.2Y/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);;/p-1
InChIKeyYUNCVGSDRPELNN-UHFFFAOYSA-M
MW384.93 g/mol
LogP-3.62
Rot. Bonds5

About 3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)

3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium) (PubChem CID 58097663) has the molecular formula C6H7O8Y2- and a molecular weight of 384.93 g/mol. Its IUPAC name is 3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium).

Molecular Properties

Compound Name3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)
PubChem CID58097663
Molecular FormulaC6H7O8Y2-
Molecular Weight384.93 g/mol
Exact Mass384.83
IUPAC Name3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)
SMILESO=C([O-])CC(O)(C(=O)O)C(O)C(=O)O.[Y].[Y]
InChIInChI=1S/C6H8O8.2Y/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);;/p-1
InChIKeyYUNCVGSDRPELNN-UHFFFAOYSA-M
XLogP-3.62
TPSA155.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 5-3.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[carboxy(hydroxy)methyl]-2-hydroxybutanedioate
CID 4093067
calcium 3-carboxy-2,3-dihydroxypentanedioate
CID 170914892
dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate
CID 173084487
1,2-dihydroxypropane-1,2,3-tricarboxylic acid;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
CID 87426117
2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc
CID 87634826
aluminum;3-carboxy-3-hydroxypentanedioate;chloride
CID 88516210
magnesium;3-carboxy-3-hydroxypentanedioate;2-hydroxypropanoic acid
CID 87589072
tripotassium;(1S,2S)-1,2-dihydroxypropane-1,2,3-tricarboxylate
CID 71587862
3-carboxy-3-hydroxypentanedioate;strontium-87(2+)
CID 172866726
calcium;sodium;3-carboxy-3-hydroxypentanedioate;chloride;hydrochloride
CID 172823091
trisodium;2-hydroxypropane-1,2,3-tricarboxylate;tris(2-hydroxypropanoic acid)
CID 173392935
dicalcium;3-carboxy-3-hydroxypentanedioate;carbonate
CID 158635145

Frequently Asked Questions

What is the IUPAC name of 3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)?
The IUPAC name of 3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium) (CID 58097663) is 3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium).
What is the SMILES notation for 3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)?
The canonical SMILES for 3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium) is O=C([O-])CC(O)(C(=O)O)C(O)C(=O)O.[Y].[Y].
What is the InChIKey of 3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)?
The InChIKey is YUNCVGSDRPELNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8O8.2Y/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);;/p-1.
What are the key properties of 3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)?
3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium) has a molecular weight of 384.93 g/mol, XLogP of -3.62, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium) is sourced from PubChem (CID 58097663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).