trisodium;hydron;diborate

H3B2Na3O6 — CID 173221263

IUPACtrisodium;hydron;diborate
SMILES[H+].[H+].[H+].[Na+].[Na+].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/2BO3.3Na/c2*2-1(3)4;;;/q2*-3;3*+1/p+3
InChIKeyIVGJLWCNEGNHOB-UHFFFAOYSA-Q
MW189.61 g/mol
LogP-16.55
Rot. Bonds

About trisodium;hydron;diborate

trisodium;hydron;diborate (PubChem CID 173221263) has the molecular formula H3B2Na3O6 and a molecular weight of 189.61 g/mol. Its IUPAC name is trisodium;hydron;diborate.

Molecular Properties

Compound Nametrisodium;hydron;diborate
PubChem CID173221263
Molecular FormulaH3B2Na3O6
Molecular Weight189.61 g/mol
Exact Mass189.98
IUPAC Nametrisodium;hydron;diborate
SMILES[H+].[H+].[H+].[Na+].[Na+].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-]
InChIInChI=1S/2BO3.3Na/c2*2-1(3)4;;;/q2*-3;3*+1/p+3
InChIKeyIVGJLWCNEGNHOB-UHFFFAOYSA-Q
XLogP-16.55
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 5-16.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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dibismuth diborate
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Frequently Asked Questions

What is the IUPAC name of trisodium;hydron;diborate?
The IUPAC name of trisodium;hydron;diborate (CID 173221263) is trisodium;hydron;diborate.
What is the SMILES notation for trisodium;hydron;diborate?
The canonical SMILES for trisodium;hydron;diborate is [H+].[H+].[H+].[Na+].[Na+].[Na+].[O-]B([O-])[O-].[O-]B([O-])[O-].
What is the InChIKey of trisodium;hydron;diborate?
The InChIKey is IVGJLWCNEGNHOB-UHFFFAOYSA-Q. The full InChI is InChI=1S/2BO3.3Na/c2*2-1(3)4;;;/q2*-3;3*+1/p+3.
What are the key properties of trisodium;hydron;diborate?
trisodium;hydron;diborate has a molecular weight of 189.61 g/mol, XLogP of -16.55, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;hydron;diborate is sourced from PubChem (CID 173221263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).