dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium

C56H64O26Tb2 — CID 11980569

IUPACdioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium
SMILESO=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.[OH3+].[OH3+].[Tb].[Tb]
InChIInChI=1S/6C7H8O3.2C7H6O3.2H2O.2Tb/c8*8-6-4-2-1-3-5(6)7(9)10;;;;/h6*1-4,7-10H;2*1-4,8H,(H,9,10);2*1H2;;
InChIKeyXKSBYYLDXTZPQR-UHFFFAOYSA-N
MW1470.95 g/mol
LogP-0.08
Rot. Bonds8

About dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium

dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium (PubChem CID 11980569) has the molecular formula C56H64O26Tb2 and a molecular weight of 1470.95 g/mol. Its IUPAC name is dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium.

Molecular Properties

Compound Namedioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium
PubChem CID11980569
Molecular FormulaC56H64O26Tb2
Molecular Weight1470.95 g/mol
Exact Mass1470.22
IUPAC Namedioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium
SMILESO=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.[OH3+].[OH3+].[Tb].[Tb]
InChIInChI=1S/6C7H8O3.2C7H6O3.2H2O.2Tb/c8*8-6-4-2-1-3-5(6)7(9)10;;;;/h6*1-4,7-10H;2*1-4,8H,(H,9,10);2*1H2;;
InChIKeyXKSBYYLDXTZPQR-UHFFFAOYSA-N
XLogP-0.08
TPSA550.86 Ų
H-Bond Donors20
H-Bond Acceptors24
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001470.95
LogP ≤ 5-0.08
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium?
The IUPAC name of dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium (CID 11980569) is dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium.
What is the SMILES notation for dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium?
The canonical SMILES for dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium is O=C([O-])c1ccccc1O.O=C([O-])c1ccccc1O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.Oc1ccccc1C(O)O.[OH3+].[OH3+].[Tb].[Tb].
What is the InChIKey of dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium?
The InChIKey is XKSBYYLDXTZPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/6C7H8O3.2C7H6O3.2H2O.2Tb/c8*8-6-4-2-1-3-5(6)7(9)10;;;;/h6*1-4,7-10H;2*1-4,8H,(H,9,10);2*1H2;;.
What are the key properties of dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium?
dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium has a molecular weight of 1470.95 g/mol, XLogP of -0.08, 8 rotatable bonds, 20 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dioxidanium;bis(2-hydroxybenzoate);hexakis((2-hydroxyphenyl)methanediol);terbium is sourced from PubChem (CID 11980569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).