CID 162499376

C5H10Na2O7Pd — CID 162499376

IUPAC—
SMILESCC(=O)O.CC(=O)O.O=COO.[Na].[Na].[Pd]
InChIInChI=1S/2C2H4O2.CH2O3.2Na.Pd/c2*1-2(3)4;2-1-4-3;;;/h2*1H3,(H,3,4);1,3H;;;
InChIKeyXFAAFTSLPUENQM-UHFFFAOYSA-N
MW334.53 g/mol
LogP-0.95
Rot. Bonds1

About CID 162499376

CID 162499376 (PubChem CID 162499376) has the molecular formula C5H10Na2O7Pd and a molecular weight of 334.53 g/mol.

Molecular Properties

Compound NameCID 162499376
PubChem CID162499376
Molecular FormulaC5H10Na2O7Pd
Molecular Weight334.53 g/mol
Exact Mass333.93
IUPAC Name—
SMILESCC(=O)O.CC(=O)O.O=COO.[Na].[Na].[Pd]
InChIInChI=1S/2C2H4O2.CH2O3.2Na.Pd/c2*1-2(3)4;2-1-4-3;;;/h2*1H3,(H,3,4);1,3H;;;
InChIKeyXFAAFTSLPUENQM-UHFFFAOYSA-N
XLogP-0.95
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 162499376?
The IUPAC name of CID 162499376 (CID 162499376) is not available.
What is the SMILES notation for CID 162499376?
The canonical SMILES for CID 162499376 is CC(=O)O.CC(=O)O.O=COO.[Na].[Na].[Pd].
What is the InChIKey of CID 162499376?
The InChIKey is XFAAFTSLPUENQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O2.CH2O3.2Na.Pd/c2*1-2(3)4;2-1-4-3;;;/h2*1H3,(H,3,4);1,3H;;;.
What are the key properties of CID 162499376?
CID 162499376 has a molecular weight of 334.53 g/mol, XLogP of -0.95, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162499376 is sourced from PubChem (CID 162499376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).