bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate

C6H5Cu2O7- — CID 21120021

IUPACbis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Cu+].[Cu+]
InChIInChI=1S/C6H8O7.2Cu/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*+1/p-3
InChIKeyDTGJLGAPUYNLAN-UHFFFAOYSA-K
MW316.19 g/mol
LogP-5.26
Rot. Bonds5

About bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate

bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 21120021) has the molecular formula C6H5Cu2O7- and a molecular weight of 316.19 g/mol. Its IUPAC name is bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Namebis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID21120021
Molecular FormulaC6H5Cu2O7-
Molecular Weight316.19 g/mol
Exact Mass314.86
IUPAC Namebis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Cu+].[Cu+]
InChIInChI=1S/C6H8O7.2Cu/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*+1/p-3
InChIKeyDTGJLGAPUYNLAN-UHFFFAOYSA-K
XLogP-5.26
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 5-5.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
bismuth;2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 175376328
sodium;2-hydroxypropane-1,2,3-tricarboxylate;nickel(2+)
CID 172852177
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);octahydrate
CID 86269183
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate
CID 2735068
2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate
CID 160518842
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
CID 19784307
trimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);heptahydrate
CID 172770656
aluminum;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 23327033

Frequently Asked Questions

What is the IUPAC name of bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate (CID 21120021) is bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Cu+].[Cu+].
What is the InChIKey of bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is DTGJLGAPUYNLAN-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.2Cu/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*+1/p-3.
What are the key properties of bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate?
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 316.19 g/mol, XLogP of -5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 21120021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).