CID 166057157

C5H9Na2O7Pd- — CID 166057157

IUPAC—
SMILESCC(=O)O.CC(=O)O.O=[C-]OO.[Na].[Na].[Pd]
InChIInChI=1S/2C2H4O2.CHO3.2Na.Pd/c2*1-2(3)4;2-1-4-3;;;/h2*1H3,(H,3,4);3H;;;/q;;-1;;;
InChIKeyAIUWUPGFHMBHFU-UHFFFAOYSA-N
MW333.52 g/mol
LogP-1.04
Rot. Bonds1

About CID 166057157

CID 166057157 (PubChem CID 166057157) has the molecular formula C5H9Na2O7Pd- and a molecular weight of 333.52 g/mol.

Molecular Properties

Compound NameCID 166057157
PubChem CID166057157
Molecular FormulaC5H9Na2O7Pd-
Molecular Weight333.52 g/mol
Exact Mass332.92
IUPAC Name—
SMILESCC(=O)O.CC(=O)O.O=[C-]OO.[Na].[Na].[Pd]
InChIInChI=1S/2C2H4O2.CHO3.2Na.Pd/c2*1-2(3)4;2-1-4-3;;;/h2*1H3,(H,3,4);3H;;;/q;;-1;;;
InChIKeyAIUWUPGFHMBHFU-UHFFFAOYSA-N
XLogP-1.04
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 166057157?
The IUPAC name of CID 166057157 (CID 166057157) is not available.
What is the SMILES notation for CID 166057157?
The canonical SMILES for CID 166057157 is CC(=O)O.CC(=O)O.O=[C-]OO.[Na].[Na].[Pd].
What is the InChIKey of CID 166057157?
The InChIKey is AIUWUPGFHMBHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O2.CHO3.2Na.Pd/c2*1-2(3)4;2-1-4-3;;;/h2*1H3,(H,3,4);3H;;;/q;;-1;;;.
What are the key properties of CID 166057157?
CID 166057157 has a molecular weight of 333.52 g/mol, XLogP of -1.04, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166057157 is sourced from PubChem (CID 166057157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).