2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate

C6H9NiO9 — CID 160518842

IUPAC2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate
SMILESO.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ni+3]
InChIInChI=1S/C6H8O7.Ni.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/q;+3;;/p-3
InChIKeyGWFFWFSGLSIMOQ-UHFFFAOYSA-K
MW283.82 g/mol
LogP-6.90
Rot. Bonds5

About 2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate

2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate (PubChem CID 160518842) has the molecular formula C6H9NiO9 and a molecular weight of 283.82 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate
PubChem CID160518842
Molecular FormulaC6H9NiO9
Molecular Weight283.82 g/mol
Exact Mass282.96
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate
SMILESO.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ni+3]
InChIInChI=1S/C6H8O7.Ni.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/q;+3;;/p-3
InChIKeyGWFFWFSGLSIMOQ-UHFFFAOYSA-K
XLogP-6.90
TPSA203.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.82
LogP ≤ 5-6.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 175376328
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate
CID 2735068
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);octahydrate
CID 86269183
trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate
CID 172770656
trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate
CID 53249332
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 23154181
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate (CID 160518842) is 2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate is O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Ni+3].
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate?
The InChIKey is GWFFWFSGLSIMOQ-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.Ni.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/q;+3;;/p-3.
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate?
2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate has a molecular weight of 283.82 g/mol, XLogP of -6.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate is sourced from PubChem (CID 160518842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).