cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate

C6H12CoO9 — CID 159047889

IUPACcobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
SMILESO.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Co]
InChIInChI=1S/C6H8O7.Co.2H2O/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);;2*1H2
InChIKeyJWWPKLLCGLLGFV-UHFFFAOYSA-N
MW287.09 g/mol
LogP-2.90
Rot. Bonds5

About cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate

cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate (PubChem CID 159047889) has the molecular formula C6H12CoO9 and a molecular weight of 287.09 g/mol. Its IUPAC name is cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate.

Molecular Properties

Compound Namecobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
PubChem CID159047889
Molecular FormulaC6H12CoO9
Molecular Weight287.09 g/mol
Exact Mass286.98
IUPAC Namecobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
SMILESO.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Co]
InChIInChI=1S/C6H8O7.Co.2H2O/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);;2*1H2
InChIKeyJWWPKLLCGLLGFV-UHFFFAOYSA-N
XLogP-2.90
TPSA195.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 5-2.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
CID 131842539
CID 131842539
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);zinc;trihydrate
CID 174885408
2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate
CID 155387795
CID 158985264
CID 158985264
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
CID 175162796
CID 170847227
CID 170847227
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482

Frequently Asked Questions

What is the IUPAC name of cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate?
The IUPAC name of cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate (CID 159047889) is cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate.
What is the SMILES notation for cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate?
The canonical SMILES for cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate is O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Co].
What is the InChIKey of cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate?
The InChIKey is JWWPKLLCGLLGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.Co.2H2O/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);;2*1H2.
What are the key properties of cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate?
cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate has a molecular weight of 287.09 g/mol, XLogP of -2.90, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate is sourced from PubChem (CID 159047889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).