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

C12H10O14Pb3 — CID 163360079

IUPACbis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride)
SMILESO=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/2C6H8O7.3Pb/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);;;/q;;3*+2/p-6
InChIKeyHOQPTLCRWVZIQZ-UHFFFAOYSA-H
MW999.80 g/mol
LogP-11.65
Rot. Bonds10

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

bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride) (PubChem CID 163360079) has the molecular formula C12H10O14Pb3 and a molecular weight of 999.80 g/mol. Its IUPAC name is bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride).

Molecular Properties

Compound Namebis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride)
PubChem CID163360079
Molecular FormulaC12H10O14Pb3
Molecular Weight999.80 g/mol
Exact Mass1001.94
IUPAC Namebis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride)
SMILESO=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/2C6H8O7.3Pb/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);;;/q;;3*+2/p-6
InChIKeyHOQPTLCRWVZIQZ-UHFFFAOYSA-H
XLogP-11.65
TPSA281.24 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.80
LogP ≤ 5-11.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride)?
The IUPAC name of bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride) (CID 163360079) is bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride).
What is the SMILES notation for bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride)?
The canonical SMILES for bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride) is 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+) dihydride)?
The InChIKey is HOQPTLCRWVZIQZ-UHFFFAOYSA-H. The full InChI is InChI=1S/2C6H8O7.3Pb/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);;;/q;;3*+2/p-6.
What are the key properties of bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride)?
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(lead(2+) dihydride) has a molecular weight of 999.80 g/mol, XLogP of -11.65, 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+) dihydride) is sourced from PubChem (CID 163360079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).