heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate

C35H46ClN7O20Pu2+6 — CID 57404092

IUPACheptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate
SMILESO.O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.[O-][Cl+3]([O-])([O-])[O-].[Pu].[Pu]
InChIInChI=1S/7C5H5NO2.ClHO4.2H2O.2Pu/c7*7-5-3-1-2-4-6(5)8;2-1(3,4)5;;;;/h7*1-4,8H;(H,2,3,4,5);2*1H2;;/p+6
InChIKeyBALICCDRMKWHPL-UHFFFAOYSA-T
MW1408.24 g/mol
LogP-6.99
Rot. Bonds

About heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate

heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate (PubChem CID 57404092) has the molecular formula C35H46ClN7O20Pu2+6 and a molecular weight of 1408.24 g/mol. Its IUPAC name is heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate.

Molecular Properties

Compound Nameheptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate
PubChem CID57404092
Molecular FormulaC35H46ClN7O20Pu2+6
Molecular Weight1408.24 g/mol
Exact Mass1395.34
IUPAC Nameheptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate
SMILESO.O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.[O-][Cl+3]([O-])([O-])[O-].[Pu].[Pu]
InChIInChI=1S/7C5H5NO2.ClHO4.2H2O.2Pu/c7*7-5-3-1-2-4-6(5)8;2-1(3,4)5;;;;/h7*1-4,8H;(H,2,3,4,5);2*1H2;;/p+6
InChIKeyBALICCDRMKWHPL-UHFFFAOYSA-T
XLogP-6.99
TPSA465.62 Ų
H-Bond Donors14
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001408.24
LogP ≤ 5-6.99
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

Octacopper;tetrakis(dipyridin-2-ylmethanediolate);tetrakis(pyridin-2-ol);tetraacetate;tetraperchlorate;tetrahydrate
CID 139134227
Sjfbk28
CID 139113436

Frequently Asked Questions

What is the IUPAC name of heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate?
The IUPAC name of heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate (CID 57404092) is heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate.
What is the SMILES notation for heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate?
The canonical SMILES for heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate is O.O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.Oc1cccc[n+]1O.[O-][Cl+3]([O-])([O-])[O-].[Pu].[Pu].
What is the InChIKey of heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate?
The InChIKey is BALICCDRMKWHPL-UHFFFAOYSA-T. The full InChI is InChI=1S/7C5H5NO2.ClHO4.2H2O.2Pu/c7*7-5-3-1-2-4-6(5)8;2-1(3,4)5;;;;/h7*1-4,8H;(H,2,3,4,5);2*1H2;;/p+6.
What are the key properties of heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate?
heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate has a molecular weight of 1408.24 g/mol, XLogP of -6.99, 0 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for heptakis(1-hydroxypyridin-1-ium-2-ol);plutonium;perchlorate;dihydrate is sourced from PubChem (CID 57404092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).