calcium;sodium;carboxy formate;hydride

C2H5CaNaO4 — CID 173156928

IUPACcalcium;sodium;carboxy formate;hydride
SMILESO=COC(=O)O.[Ca+2].[H-].[H-].[H-].[Na+]
InChIInChI=1S/C2H2O4.Ca.Na.3H/c3-1-6-2(4)5;;;;;/h1H,(H,4,5);;;;;/q;+2;+1;3*-1
InChIKeyMONZIVFZRLVTBT-UHFFFAOYSA-N
MW156.13 g/mol
LogP-3.20
Rot. Bonds1

About calcium;sodium;carboxy formate;hydride

calcium;sodium;carboxy formate;hydride (PubChem CID 173156928) has the molecular formula C2H5CaNaO4 and a molecular weight of 156.13 g/mol. Its IUPAC name is calcium;sodium;carboxy formate;hydride.

Molecular Properties

Compound Namecalcium;sodium;carboxy formate;hydride
PubChem CID173156928
Molecular FormulaC2H5CaNaO4
Molecular Weight156.13 g/mol
Exact Mass155.97
IUPAC Namecalcium;sodium;carboxy formate;hydride
SMILESO=COC(=O)O.[Ca+2].[H-].[H-].[H-].[Na+]
InChIInChI=1S/C2H2O4.Ca.Na.3H/c3-1-6-2(4)5;;;;;/h1H,(H,4,5);;;;;/q;+2;+1;3*-1
InChIKeyMONZIVFZRLVTBT-UHFFFAOYSA-N
XLogP-3.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.13
LogP ≤ 5-3.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;sodium;carboxy formate;hydride?
The IUPAC name of calcium;sodium;carboxy formate;hydride (CID 173156928) is calcium;sodium;carboxy formate;hydride.
What is the SMILES notation for calcium;sodium;carboxy formate;hydride?
The canonical SMILES for calcium;sodium;carboxy formate;hydride is O=COC(=O)O.[Ca+2].[H-].[H-].[H-].[Na+].
What is the InChIKey of calcium;sodium;carboxy formate;hydride?
The InChIKey is MONZIVFZRLVTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.Ca.Na.3H/c3-1-6-2(4)5;;;;;/h1H,(H,4,5);;;;;/q;+2;+1;3*-1.
What are the key properties of calcium;sodium;carboxy formate;hydride?
calcium;sodium;carboxy formate;hydride has a molecular weight of 156.13 g/mol, XLogP of -3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;carboxy formate;hydride is sourced from PubChem (CID 173156928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).