zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-)

C6H8O8Zn — CID 155051192

IUPACzinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-)
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[O-2].[Zn+2]
InChIInChI=1S/C6H8O7.O.Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;-2;+2
InChIKeyBOWMUFQFTPVGAR-UHFFFAOYSA-N
MW273.51 g/mol
LogP-1.37
Rot. Bonds5

About zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-)

zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-) (PubChem CID 155051192) has the molecular formula C6H8O8Zn and a molecular weight of 273.51 g/mol. Its IUPAC name is zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-).

Molecular Properties

Compound Namezinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-)
PubChem CID155051192
Molecular FormulaC6H8O8Zn
Molecular Weight273.51 g/mol
Exact Mass271.95
IUPAC Namezinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-)
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[O-2].[Zn+2]
InChIInChI=1S/C6H8O7.O.Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;-2;+2
InChIKeyBOWMUFQFTPVGAR-UHFFFAOYSA-N
XLogP-1.37
TPSA160.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.51
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dialuminum;2-hydroxypropane-1,2,3-tricarboxylic acid;tris(oxygen(2-))
CID 161103726
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;manganese
CID 90472972
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463
silver 2-hydroxypropane-1,2,3-tricarboxylic acid
CID 11587493
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
CID 24997986
CID 24997986
CID 173004565
CID 173004565
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);iron
CID 163216326
2-hydroxypropane-1,2,3-tricarboxylic acid;molybdenum
CID 56836802
2-hydroxypropane-1,2,3-tricarboxylic acid;rhodium(2+)
CID 10469750
carbonic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87148662

Frequently Asked Questions

What is the IUPAC name of zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-)?
The IUPAC name of zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-) (CID 155051192) is zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-).
What is the SMILES notation for zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-)?
The canonical SMILES for zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-) is O=C(O)CC(O)(CC(=O)O)C(=O)O.[O-2].[Zn+2].
What is the InChIKey of zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-)?
The InChIKey is BOWMUFQFTPVGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.O.Zn/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;/q;-2;+2.
What are the key properties of zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-)?
zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-) has a molecular weight of 273.51 g/mol, XLogP of -1.37, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-hydroxypropane-1,2,3-tricarboxylic acid;oxygen(2-) is sourced from PubChem (CID 155051192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).