tris(2-hydroxybutanedioate);bis(yttrium(3+))

C12H12O15Y2 — CID 173103435

IUPACtris(2-hydroxybutanedioate);bis(yttrium(3+))
SMILESO=C([O-])CC(O)C(=O)[O-].O=C([O-])CC(O)C(=O)[O-].O=C([O-])CC(O)C(=O)[O-].[Y+3].[Y+3]
InChIInChI=1S/3C4H6O5.2Y/c3*5-2(4(8)9)1-3(6)7;;/h3*2,5H,1H2,(H,6,7)(H,8,9);;/q;;;2*+3/p-6
InChIKeyCNJLPGDYFKQOOU-UHFFFAOYSA-H
MW574.03 g/mol
LogP-11.29
Rot. Bonds9

About tris(2-hydroxybutanedioate);bis(yttrium(3+))

tris(2-hydroxybutanedioate);bis(yttrium(3+)) (PubChem CID 173103435) has the molecular formula C12H12O15Y2 and a molecular weight of 574.03 g/mol. Its IUPAC name is tris(2-hydroxybutanedioate);bis(yttrium(3+)).

Molecular Properties

Compound Nametris(2-hydroxybutanedioate);bis(yttrium(3+))
PubChem CID173103435
Molecular FormulaC12H12O15Y2
Molecular Weight574.03 g/mol
Exact Mass573.83
IUPAC Nametris(2-hydroxybutanedioate);bis(yttrium(3+))
SMILESO=C([O-])CC(O)C(=O)[O-].O=C([O-])CC(O)C(=O)[O-].O=C([O-])CC(O)C(=O)[O-].[Y+3].[Y+3]
InChIInChI=1S/3C4H6O5.2Y/c3*5-2(4(8)9)1-3(6)7;;/h3*2,5H,1H2,(H,6,7)(H,8,9);;/q;;;2*+3/p-6
InChIKeyCNJLPGDYFKQOOU-UHFFFAOYSA-H
XLogP-11.29
TPSA301.47 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.03
LogP ≤ 5-11.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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Related Compounds

disilver;2-hydroxybutanedioate
CID 14299093
disodium;(2S)-2-hydroxybutanedioate
CID 6097189
tris(2-hydroxybutanedioate);bis(terbium(3+))
CID 173160363
cadmium(2+);2-hydroxybutanedioate
CID 87607349
azanium;sodium;(2S)-2-hydroxybutanedioate
CID 141157633
2-hydroxybutanedioate;oxozirconium(2+)
CID 87184139
calcium;hydron;bis(2-hydroxybutanedioate)
CID 165411854
sodium;2-hydroxybutanedioate;dihydrate
CID 22761792
calcium;hydron;bis(2-hydroxybutanedioate);dihydroxide
CID 162394401
disodium;2,3-dihydroxybutanedioic acid;2-hydroxybutanedioate
CID 175410241
sodium (3S)-3,4-dihydroxy-4-oxobutanoate
CID 24802275
sodium 3,4-dihydroxy-4-oxobutanoate
CID 23678821

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxybutanedioate);bis(yttrium(3+))?
The IUPAC name of tris(2-hydroxybutanedioate);bis(yttrium(3+)) (CID 173103435) is tris(2-hydroxybutanedioate);bis(yttrium(3+)).
What is the SMILES notation for tris(2-hydroxybutanedioate);bis(yttrium(3+))?
The canonical SMILES for tris(2-hydroxybutanedioate);bis(yttrium(3+)) is O=C([O-])CC(O)C(=O)[O-].O=C([O-])CC(O)C(=O)[O-].O=C([O-])CC(O)C(=O)[O-].[Y+3].[Y+3].
What is the InChIKey of tris(2-hydroxybutanedioate);bis(yttrium(3+))?
The InChIKey is CNJLPGDYFKQOOU-UHFFFAOYSA-H. The full InChI is InChI=1S/3C4H6O5.2Y/c3*5-2(4(8)9)1-3(6)7;;/h3*2,5H,1H2,(H,6,7)(H,8,9);;/q;;;2*+3/p-6.
What are the key properties of tris(2-hydroxybutanedioate);bis(yttrium(3+))?
tris(2-hydroxybutanedioate);bis(yttrium(3+)) has a molecular weight of 574.03 g/mol, XLogP of -11.29, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxybutanedioate);bis(yttrium(3+)) is sourced from PubChem (CID 173103435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).