hexasodium;hexaformate

C6H6Na6O12 — CID 22390259

IUPAChexasodium;hexaformate
SMILESO=C[O-].O=C[O-].O=C[O-].O=C[O-].O=C[O-].O=C[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/6CH2O2.6Na/c6*2-1-3;;;;;;/h6*1H,(H,2,3);;;;;;/q;;;;;;6*+1/p-6
InChIKeyUXGLWSHNROIPQH-UHFFFAOYSA-H
MW408.04 g/mol
LogP-27.78
Rot. Bonds

About hexasodium;hexaformate

hexasodium;hexaformate (PubChem CID 22390259) has the molecular formula C6H6Na6O12 and a molecular weight of 408.04 g/mol. Its IUPAC name is hexasodium;hexaformate.

Molecular Properties

Compound Namehexasodium;hexaformate
PubChem CID22390259
Molecular FormulaC6H6Na6O12
Molecular Weight408.04 g/mol
Exact Mass407.92
IUPAC Namehexasodium;hexaformate
SMILESO=C[O-].O=C[O-].O=C[O-].O=C[O-].O=C[O-].O=C[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/6CH2O2.6Na/c6*2-1-3;;;;;;/h6*1H,(H,2,3);;;;;;/q;;;;;;6*+1/p-6
InChIKeyUXGLWSHNROIPQH-UHFFFAOYSA-H
XLogP-27.78
TPSA240.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.04
LogP ≤ 5-27.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hexasodium;hexaformate?
The IUPAC name of hexasodium;hexaformate (CID 22390259) is hexasodium;hexaformate.
What is the SMILES notation for hexasodium;hexaformate?
The canonical SMILES for hexasodium;hexaformate is O=C[O-].O=C[O-].O=C[O-].O=C[O-].O=C[O-].O=C[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexasodium;hexaformate?
The InChIKey is UXGLWSHNROIPQH-UHFFFAOYSA-H. The full InChI is InChI=1S/6CH2O2.6Na/c6*2-1-3;;;;;;/h6*1H,(H,2,3);;;;;;/q;;;;;;6*+1/p-6.
What are the key properties of hexasodium;hexaformate?
hexasodium;hexaformate has a molecular weight of 408.04 g/mol, XLogP of -27.78, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexasodium;hexaformate is sourced from PubChem (CID 22390259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).