zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate

C6H4O7Zn — CID 11550597

IUPACzinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate
SMILESO=C1CC(O)(C(=O)[O-])C(C(=O)[O-])O1.[Zn+2]
InChIInChI=1S/C6H6O7.Zn/c7-2-1-6(12,5(10)11)3(13-2)4(8)9;/h3,12H,1H2,(H,8,9)(H,10,11);/q;+2/p-2
InChIKeyDDGCKZBSNQKRLW-UHFFFAOYSA-L
MW253.48 g/mol
LogP-4.47
Rot. Bonds2

About zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate

zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate (PubChem CID 11550597) has the molecular formula C6H4O7Zn and a molecular weight of 253.48 g/mol. Its IUPAC name is zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate.

Molecular Properties

Compound Namezinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate
PubChem CID11550597
Molecular FormulaC6H4O7Zn
Molecular Weight253.48 g/mol
Exact Mass251.92
IUPAC Namezinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate
SMILESO=C1CC(O)(C(=O)[O-])C(C(=O)[O-])O1.[Zn+2]
InChIInChI=1S/C6H6O7.Zn/c7-2-1-6(12,5(10)11)3(13-2)4(8)9;/h3,12H,1H2,(H,8,9)(H,10,11);/q;+2/p-2
InChIKeyDDGCKZBSNQKRLW-UHFFFAOYSA-L
XLogP-4.47
TPSA126.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.48
LogP ≤ 5-4.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate?
The IUPAC name of zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate (CID 11550597) is zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate.
What is the SMILES notation for zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate?
The canonical SMILES for zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate is O=C1CC(O)(C(=O)[O-])C(C(=O)[O-])O1.[Zn+2].
What is the InChIKey of zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate?
The InChIKey is DDGCKZBSNQKRLW-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H6O7.Zn/c7-2-1-6(12,5(10)11)3(13-2)4(8)9;/h3,12H,1H2,(H,8,9)(H,10,11);/q;+2/p-2.
What are the key properties of zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate?
zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate has a molecular weight of 253.48 g/mol, XLogP of -4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 3-hydroxy-5-oxooxolane-2,3-dicarboxylate is sourced from PubChem (CID 11550597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).