sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide

C11H13HgNaO4 — CID 131882581

IUPACsodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide
SMILES[CH2-]C(O)CC(C(=O)[O-])c1ccccc1.[Hg+2].[Na+].[OH-]
InChIInChI=1S/C11H13O3.Hg.Na.H2O/c1-8(12)7-10(11(13)14)9-5-3-2-4-6-9;;;/h2-6,8,10,12H,1,7H2,(H,13,14);;;1H2/q-1;+2;+1;/p-2
InChIKeyIRKNUZVNJUTHDO-UHFFFAOYSA-L
MW432.80 g/mol
LogP-3.07
Rot. Bonds4

About sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide

sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide (PubChem CID 131882581) has the molecular formula C11H13HgNaO4 and a molecular weight of 432.80 g/mol. Its IUPAC name is sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide.

Molecular Properties

Compound Namesodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide
PubChem CID131882581
Molecular FormulaC11H13HgNaO4
Molecular Weight432.80 g/mol
Exact Mass434.04
IUPAC Namesodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide
SMILES[CH2-]C(O)CC(C(=O)[O-])c1ccccc1.[Hg+2].[Na+].[OH-]
InChIInChI=1S/C11H13O3.Hg.Na.H2O/c1-8(12)7-10(11(13)14)9-5-3-2-4-6-9;;;/h2-6,8,10,12H,1,7H2,(H,13,14);;;1H2/q-1;+2;+1;/p-2
InChIKeyIRKNUZVNJUTHDO-UHFFFAOYSA-L
XLogP-3.07
TPSA90.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.80
LogP ≤ 5-3.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-phenylpentanoate
CID 22376993
(2S)-2,3-diphenylpropanoate
CID 6993748
(2S)-4-oxo-2,4-diphenylbutanoate
CID 6950858
3-amino-2-hydroxy-3-phenylpropanoate
CID 22033560
(2R)-2-phenyl-3-thiophen-2-ylpropanoate
CID 6920017
2-phenyloctadecanoate
CID 22742145
sodium (2R,3R)-4-(3,3-diphenylpropoxy)-2,3-dihydroxy-4-oxobutanoate
CID 164603858
(2S)-2-(4-phenylphenyl)butanoate
CID 86294889
chloranium 2,2-diphenylacetate
CID 162326731
disodium;2-[carboxylato(phenyl)methoxy]-2-phenylacetate
CID 91666684
4-oxo-3-phenylpentanoate
CID 78435368
(2S)-2-bromo-2-phenylacetate
CID 7000043

Frequently Asked Questions

What is the IUPAC name of sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide?
The IUPAC name of sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide (CID 131882581) is sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide.
What is the SMILES notation for sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide?
The canonical SMILES for sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide is [CH2-]C(O)CC(C(=O)[O-])c1ccccc1.[Hg+2].[Na+].[OH-].
What is the InChIKey of sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide?
The InChIKey is IRKNUZVNJUTHDO-UHFFFAOYSA-L. The full InChI is InChI=1S/C11H13O3.Hg.Na.H2O/c1-8(12)7-10(11(13)14)9-5-3-2-4-6-9;;;/h2-6,8,10,12H,1,7H2,(H,13,14);;;1H2/q-1;+2;+1;/p-2.
What are the key properties of sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide?
sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide has a molecular weight of 432.80 g/mol, XLogP of -3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-hydroxy-2-phenylpentanoate;mercury(2+);hydroxide is sourced from PubChem (CID 131882581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).