zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate)

C8H16N2O10Zn — CID 173017583

IUPACzinc;azane;bis(2,4-dihydroxy-4-oxobutanoate)
SMILESN.N.O=C(O)CC(O)C(=O)[O-].O=C(O)CC(O)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C4H6O5.2H3N.Zn/c2*5-2(4(8)9)1-3(6)7;;;/h2*2,5H,1H2,(H,6,7)(H,8,9);2*1H3;/q;;;;+2/p-2
InChIKeyPXHPVLJIFXPTRD-UHFFFAOYSA-L
MW365.61 g/mol
LogP-4.53
Rot. Bonds6

About zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate)

zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate) (PubChem CID 173017583) has the molecular formula C8H16N2O10Zn and a molecular weight of 365.61 g/mol. Its IUPAC name is zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate).

Molecular Properties

Compound Namezinc;azane;bis(2,4-dihydroxy-4-oxobutanoate)
PubChem CID173017583
Molecular FormulaC8H16N2O10Zn
Molecular Weight365.61 g/mol
Exact Mass364.01
IUPAC Namezinc;azane;bis(2,4-dihydroxy-4-oxobutanoate)
SMILESN.N.O=C(O)CC(O)C(=O)[O-].O=C(O)CC(O)C(=O)[O-].[Zn+2]
InChIInChI=1S/2C4H6O5.2H3N.Zn/c2*5-2(4(8)9)1-3(6)7;;;/h2*2,5H,1H2,(H,6,7)(H,8,9);2*1H3;/q;;;;+2/p-2
InChIKeyPXHPVLJIFXPTRD-UHFFFAOYSA-L
XLogP-4.53
TPSA265.32 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 5-4.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

bis(1,4-diazoniabicyclo[2.2.2]octane);tetrakis((2R)-2,4-dihydroxy-4-oxobutanoate)
CID 139063651
zinc 2-hydroxy-4-oxo-4-sulfidobutanoate
CID 19367367
tris(2-hydroxybutanedioate);bis(yttrium(3+))
CID 173103435
disilver;2-hydroxybutanedioate
CID 14299093
disodium;(2S)-2-hydroxybutanedioate
CID 6097189
azane;bismuthane;2-hydroxybutanedioic acid
CID 173447177
tris(2-hydroxybutanedioate);bis(terbium(3+))
CID 173160363
cadmium(2+);2-hydroxybutanedioate
CID 87607349
lithium;2,4-dihydroxy-4-oxobutanoate;methyl prop-2-enoate
CID 174803207
sodium;2-hydroxybutanedioate;dihydrate
CID 22761792
2-hydroxybutanedioate;oxozirconium(2+)
CID 87184139
calcium;hydron;bis(2-hydroxybutanedioate)
CID 165411854

Frequently Asked Questions

What is the IUPAC name of zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate)?
The IUPAC name of zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate) (CID 173017583) is zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate).
What is the SMILES notation for zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate)?
The canonical SMILES for zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate) is N.N.O=C(O)CC(O)C(=O)[O-].O=C(O)CC(O)C(=O)[O-].[Zn+2].
What is the InChIKey of zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate)?
The InChIKey is PXHPVLJIFXPTRD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H6O5.2H3N.Zn/c2*5-2(4(8)9)1-3(6)7;;;/h2*2,5H,1H2,(H,6,7)(H,8,9);2*1H3;/q;;;;+2/p-2.
What are the key properties of zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate)?
zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate) has a molecular weight of 365.61 g/mol, XLogP of -4.53, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;azane;bis(2,4-dihydroxy-4-oxobutanoate) is sourced from PubChem (CID 173017583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).