sodium;pentakis(2-hydroxypropanoate);thorium(4+)

C15H25NaO15Th — CID 159864305

IUPACsodium;pentakis(2-hydroxypropanoate);thorium(4+)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Na+].[Th+4]
InChIInChI=1S/5C3H6O3.Na.Th/c5*1-2(4)3(5)6;;/h5*2,4H,1H3,(H,5,6);;/q;;;;;+1;+4/p-5
InChIKeyALVKKODELUUGPH-UHFFFAOYSA-I
MW700.38 g/mol
LogP-12.41
Rot. Bonds5

About sodium;pentakis(2-hydroxypropanoate);thorium(4+)

sodium;pentakis(2-hydroxypropanoate);thorium(4+) (PubChem CID 159864305) has the molecular formula C15H25NaO15Th and a molecular weight of 700.38 g/mol. Its IUPAC name is sodium;pentakis(2-hydroxypropanoate);thorium(4+).

Molecular Properties

Compound Namesodium;pentakis(2-hydroxypropanoate);thorium(4+)
PubChem CID159864305
Molecular FormulaC15H25NaO15Th
Molecular Weight700.38 g/mol
Exact Mass700.15
IUPAC Namesodium;pentakis(2-hydroxypropanoate);thorium(4+)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Na+].[Th+4]
InChIInChI=1S/5C3H6O3.Na.Th/c5*1-2(4)3(5)6;;/h5*2,4H,1H3,(H,5,6);;/q;;;;;+1;+4/p-5
InChIKeyALVKKODELUUGPH-UHFFFAOYSA-I
XLogP-12.41
TPSA301.80 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.38
LogP ≤ 5-12.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;pentakis(2-hydroxypropanoate);thorium(4+)?
The IUPAC name of sodium;pentakis(2-hydroxypropanoate);thorium(4+) (CID 159864305) is sodium;pentakis(2-hydroxypropanoate);thorium(4+).
What is the SMILES notation for sodium;pentakis(2-hydroxypropanoate);thorium(4+)?
The canonical SMILES for sodium;pentakis(2-hydroxypropanoate);thorium(4+) is CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-].[Na+].[Th+4].
What is the InChIKey of sodium;pentakis(2-hydroxypropanoate);thorium(4+)?
The InChIKey is ALVKKODELUUGPH-UHFFFAOYSA-I. The full InChI is InChI=1S/5C3H6O3.Na.Th/c5*1-2(4)3(5)6;;/h5*2,4H,1H3,(H,5,6);;/q;;;;;+1;+4/p-5.
What are the key properties of sodium;pentakis(2-hydroxypropanoate);thorium(4+)?
sodium;pentakis(2-hydroxypropanoate);thorium(4+) has a molecular weight of 700.38 g/mol, XLogP of -12.41, 5 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;pentakis(2-hydroxypropanoate);thorium(4+) is sourced from PubChem (CID 159864305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).