zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol

C9H18O9Zn — CID 158465195

IUPACzinc;bis(2-hydroxypropanoate);propane-1,2,3-triol
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].OCC(O)CO.[Zn+2]
InChIInChI=1S/C3H8O3.2C3H6O3.Zn/c4-1-3(6)2-5;2*1-2(4)3(5)6;/h3-6H,1-2H2;2*2,4H,1H3,(H,5,6);/q;;;+2/p-2
InChIKeyHFQYMQBXMQICSZ-UHFFFAOYSA-L
MW335.62 g/mol
LogP-5.44
Rot. Bonds4

About zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol

zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol (PubChem CID 158465195) has the molecular formula C9H18O9Zn and a molecular weight of 335.62 g/mol. Its IUPAC name is zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol.

Molecular Properties

Compound Namezinc;bis(2-hydroxypropanoate);propane-1,2,3-triol
PubChem CID158465195
Molecular FormulaC9H18O9Zn
Molecular Weight335.62 g/mol
Exact Mass334.02
IUPAC Namezinc;bis(2-hydroxypropanoate);propane-1,2,3-triol
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].OCC(O)CO.[Zn+2]
InChIInChI=1S/C3H8O3.2C3H6O3.Zn/c4-1-3(6)2-5;2*1-2(4)3(5)6;/h3-6H,1-2H2;2*2,4H,1H3,(H,5,6);/q;;;+2/p-2
InChIKeyHFQYMQBXMQICSZ-UHFFFAOYSA-L
XLogP-5.44
TPSA181.41 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.62
LogP ≤ 5-5.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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CID 22641262
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potassium;propane-1,2,3-triol;acetate
CID 23700856
strontium bis(2-hydroxypropanoate)
CID 91886528
aluminum tris((2R)-2-hydroxypropanoate)
CID 175713416
potassium 2-hydroxypropanoate
CID 23671663
silver (2R)-2-hydroxypropanoate
CID 14178856
tris(2-hydroxypropanoate);zirconium(3+)
CID 3048680
iodanium 2-hydroxypropanoate
CID 158316585
copper bis(2-hydroxypropanoate)
CID 13145
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CID 15920056

Frequently Asked Questions

What is the IUPAC name of zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol?
The IUPAC name of zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol (CID 158465195) is zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol.
What is the SMILES notation for zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol?
The canonical SMILES for zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol is CC(O)C(=O)[O-].CC(O)C(=O)[O-].OCC(O)CO.[Zn+2].
What is the InChIKey of zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol?
The InChIKey is HFQYMQBXMQICSZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H8O3.2C3H6O3.Zn/c4-1-3(6)2-5;2*1-2(4)3(5)6;/h3-6H,1-2H2;2*2,4H,1H3,(H,5,6);/q;;;+2/p-2.
What are the key properties of zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol?
zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol has a molecular weight of 335.62 g/mol, XLogP of -5.44, 4 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(2-hydroxypropanoate);propane-1,2,3-triol is sourced from PubChem (CID 158465195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).