dodecasodium;hydrogen peroxide;tetraborate

H2B4Na12O14 — CID 174379547

IUPACdodecasodium;hydrogen peroxide;tetraborate
SMILESOO.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/4BO3.12Na.H2O2/c4*2-1(3)4;;;;;;;;;;;;;1-2/h;;;;;;;;;;;;;;;;1-2H/q4*-3;12*+1;
InChIKeyZFRZVVDJVUGXKL-UHFFFAOYSA-N
MW545.13 g/mol
LogP-51.73
Rot. Bonds

About dodecasodium;hydrogen peroxide;tetraborate

dodecasodium;hydrogen peroxide;tetraborate (PubChem CID 174379547) has the molecular formula H2B4Na12O14 and a molecular weight of 545.13 g/mol. Its IUPAC name is dodecasodium;hydrogen peroxide;tetraborate.

Molecular Properties

Compound Namedodecasodium;hydrogen peroxide;tetraborate
PubChem CID174379547
Molecular FormulaH2B4Na12O14
Molecular Weight545.13 g/mol
Exact Mass545.86
IUPAC Namedodecasodium;hydrogen peroxide;tetraborate
SMILESOO.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/4BO3.12Na.H2O2/c4*2-1(3)4;;;;;;;;;;;;;1-2/h;;;;;;;;;;;;;;;;1-2H/q4*-3;12*+1;
InChIKeyZFRZVVDJVUGXKL-UHFFFAOYSA-N
XLogP-51.73
TPSA317.18 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.13
LogP ≤ 5-51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Related Compounds

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dodecasodium;tetraborate;decahydrate
CID 86618040
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magnesium;sodium;borate;hydrate
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disodium;hydrogen borate
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dilithium;sodium;yttrium(3+);diborate
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tetraborate;pentahydrate
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dibismuth diborate
CID 159089298

Frequently Asked Questions

What is the IUPAC name of dodecasodium;hydrogen peroxide;tetraborate?
The IUPAC name of dodecasodium;hydrogen peroxide;tetraborate (CID 174379547) is dodecasodium;hydrogen peroxide;tetraborate.
What is the SMILES notation for dodecasodium;hydrogen peroxide;tetraborate?
The canonical SMILES for dodecasodium;hydrogen peroxide;tetraborate is OO.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].[O-]B([O-])[O-].
What is the InChIKey of dodecasodium;hydrogen peroxide;tetraborate?
The InChIKey is ZFRZVVDJVUGXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/4BO3.12Na.H2O2/c4*2-1(3)4;;;;;;;;;;;;;1-2/h;;;;;;;;;;;;;;;;1-2H/q4*-3;12*+1;.
What are the key properties of dodecasodium;hydrogen peroxide;tetraborate?
dodecasodium;hydrogen peroxide;tetraborate has a molecular weight of 545.13 g/mol, XLogP of -51.73, 0 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dodecasodium;hydrogen peroxide;tetraborate is sourced from PubChem (CID 174379547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).