disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate

C6H2Na2O6 — CID 175647652

IUPACdisodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate
SMILESO=C1C(=O)C(=O)C([O-])C([O-])C1=O.[Na+].[Na+]
InChIInChI=1S/C6H2O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h1-2H;;/q-2;2*+1
InChIKeyPIDKIPQCNPWVOY-UHFFFAOYSA-N
MW216.06 g/mol
LogP-10.26
Rot. Bonds

About disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate

disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate (PubChem CID 175647652) has the molecular formula C6H2Na2O6 and a molecular weight of 216.06 g/mol. Its IUPAC name is disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate.

Molecular Properties

Compound Namedisodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate
PubChem CID175647652
Molecular FormulaC6H2Na2O6
Molecular Weight216.06 g/mol
Exact Mass215.96
IUPAC Namedisodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate
SMILESO=C1C(=O)C(=O)C([O-])C([O-])C1=O.[Na+].[Na+]
InChIInChI=1S/C6H2O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h1-2H;;/q-2;2*+1
InChIKeyPIDKIPQCNPWVOY-UHFFFAOYSA-N
XLogP-10.26
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.06
LogP ≤ 5-10.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate?
The IUPAC name of disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate (CID 175647652) is disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate.
What is the SMILES notation for disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate?
The canonical SMILES for disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate is O=C1C(=O)C(=O)C([O-])C([O-])C1=O.[Na+].[Na+].
What is the InChIKey of disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate?
The InChIKey is PIDKIPQCNPWVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2O6.2Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h1-2H;;/q-2;2*+1.
What are the key properties of disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate?
disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate has a molecular weight of 216.06 g/mol, XLogP of -10.26, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3,4,5,6-tetraoxocyclohexane-1,2-diolate is sourced from PubChem (CID 175647652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).