bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate

C12H16O17Pb3 — CID 2735068

IUPACbis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate
SMILESO.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Pb+2].[Pb+2].[Pb+2]
InChIInChI=1S/2C6H8O7.3H2O.3Pb/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H2;;;/q;;;;;3*+2/p-6
InChIKeyGMPMGSCJCDAUMP-UHFFFAOYSA-H
MW1053.84 g/mol
LogP-14.12
Rot. Bonds10

About bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate

bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate (PubChem CID 2735068) has the molecular formula C12H16O17Pb3 and a molecular weight of 1053.84 g/mol. Its IUPAC name is bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate.

Molecular Properties

Compound Namebis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate
PubChem CID2735068
Molecular FormulaC12H16O17Pb3
Molecular Weight1053.84 g/mol
Exact Mass1055.97
IUPAC Namebis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate
SMILESO.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Pb+2].[Pb+2].[Pb+2]
InChIInChI=1S/2C6H8O7.3H2O.3Pb/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H2;;;/q;;;;;3*+2/p-6
InChIKeyGMPMGSCJCDAUMP-UHFFFAOYSA-H
XLogP-14.12
TPSA375.74 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.84
LogP ≤ 5-14.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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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
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);octahydrate
CID 86269183
2-hydroxypropane-1,2,3-tricarboxylate;nickel(3+);dihydrate
CID 160518842
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
azane;tetrakis(2-hydroxypropane-1,2,3-tricarboxylate);tris(zirconium(4+))
CID 173362553

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate?
The IUPAC name of bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate (CID 2735068) is bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate.
What is the SMILES notation for bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate?
The canonical SMILES for bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate is O.O.O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Pb+2].[Pb+2].[Pb+2].
What is the InChIKey of bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate?
The InChIKey is GMPMGSCJCDAUMP-UHFFFAOYSA-H. The full InChI is InChI=1S/2C6H8O7.3H2O.3Pb/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*1H2;;;/q;;;;;3*+2/p-6.
What are the key properties of bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate?
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate has a molecular weight of 1053.84 g/mol, XLogP of -14.12, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+));trihydrate is sourced from PubChem (CID 2735068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).