disodium;boric acid;hydrogen carbonate;hydroxide

CH5BNa2O7 — CID 160828512

IUPACdisodium;boric acid;hydrogen carbonate;hydroxide
SMILESO=C([O-])O.OB(O)O.[Na+].[Na+].[OH-]
InChIInChI=1S/CH2O3.BH3O3.2Na.H2O/c2*2-1(3)4;;;/h(H2,2,3,4);2-4H;;;1H2/q;;2*+1;/p-2
InChIKeySGMMHSZLJIROBX-UHFFFAOYSA-L
MW185.84 g/mol
LogP-9.33
Rot. Bonds

About disodium;boric acid;hydrogen carbonate;hydroxide

disodium;boric acid;hydrogen carbonate;hydroxide (PubChem CID 160828512) has the molecular formula CH5BNa2O7 and a molecular weight of 185.84 g/mol. Its IUPAC name is disodium;boric acid;hydrogen carbonate;hydroxide.

Molecular Properties

Compound Namedisodium;boric acid;hydrogen carbonate;hydroxide
PubChem CID160828512
Molecular FormulaCH5BNa2O7
Molecular Weight185.84 g/mol
Exact Mass185.99
IUPAC Namedisodium;boric acid;hydrogen carbonate;hydroxide
SMILESO=C([O-])O.OB(O)O.[Na+].[Na+].[OH-]
InChIInChI=1S/CH2O3.BH3O3.2Na.H2O/c2*2-1(3)4;;;/h(H2,2,3,4);2-4H;;;1H2/q;;2*+1;/p-2
InChIKeySGMMHSZLJIROBX-UHFFFAOYSA-L
XLogP-9.33
TPSA151.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.84
LogP ≤ 5-9.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

disodium;boric acid;carbonic acid;carbonate
CID 158571520
potassium;sodium;carbonic acid;hydrogen carbonate;hydroxide
CID 161222567
sodium;hydrogen carbonate;rhodium(3+)
CID 158976789
copper;sodium;hydrogen carbonate
CID 158630048
hexatriacontasodium;carbonic acid;hydrogen carbonate
CID 173333851
sodium;arsane;hydrogen carbonate
CID 175072054
zinc;hydrogen carbonate;hydroxide
CID 53249518
trisodium;hydrogen carbonate;acetate;hydroxide
CID 169079975
magnesium;sodium;hydrogen carbonate;dichloride
CID 175295989
trisodium;hydrogen carbonate;carbonate;dihydrate
CID 91886149
barium(2+);boric acid;carbonate
CID 175313768
calcium;sodium;strontium;hydrogen carbonate
CID 174700923

Frequently Asked Questions

What is the IUPAC name of disodium;boric acid;hydrogen carbonate;hydroxide?
The IUPAC name of disodium;boric acid;hydrogen carbonate;hydroxide (CID 160828512) is disodium;boric acid;hydrogen carbonate;hydroxide.
What is the SMILES notation for disodium;boric acid;hydrogen carbonate;hydroxide?
The canonical SMILES for disodium;boric acid;hydrogen carbonate;hydroxide is O=C([O-])O.OB(O)O.[Na+].[Na+].[OH-].
What is the InChIKey of disodium;boric acid;hydrogen carbonate;hydroxide?
The InChIKey is SGMMHSZLJIROBX-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O3.BH3O3.2Na.H2O/c2*2-1(3)4;;;/h(H2,2,3,4);2-4H;;;1H2/q;;2*+1;/p-2.
What are the key properties of disodium;boric acid;hydrogen carbonate;hydroxide?
disodium;boric acid;hydrogen carbonate;hydroxide has a molecular weight of 185.84 g/mol, XLogP of -9.33, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;boric acid;hydrogen carbonate;hydroxide is sourced from PubChem (CID 160828512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).