potassium;sodium;carbonic acid;hydrogen borate

CH3BKNaO6 — CID 157407126

IUPACpotassium;sodium;carbonic acid;hydrogen borate
SMILESO=C(O)O.[K+].[Na+].[O-]B([O-])O
InChIInChI=1S/CH2O3.BHO3.K.Na/c2*2-1(3)4;;/h(H2,2,3,4);2H;;/q;-2;2*+1
InChIKeyBNVSNTKOFMJXNM-UHFFFAOYSA-N
MW183.93 g/mol
LogP-9.09
Rot. Bonds

About potassium;sodium;carbonic acid;hydrogen borate

potassium;sodium;carbonic acid;hydrogen borate (PubChem CID 157407126) has the molecular formula CH3BKNaO6 and a molecular weight of 183.93 g/mol. Its IUPAC name is potassium;sodium;carbonic acid;hydrogen borate.

Molecular Properties

Compound Namepotassium;sodium;carbonic acid;hydrogen borate
PubChem CID157407126
Molecular FormulaCH3BKNaO6
Molecular Weight183.93 g/mol
Exact Mass183.96
IUPAC Namepotassium;sodium;carbonic acid;hydrogen borate
SMILESO=C(O)O.[K+].[Na+].[O-]B([O-])O
InChIInChI=1S/CH2O3.BHO3.K.Na/c2*2-1(3)4;;/h(H2,2,3,4);2H;;/q;-2;2*+1
InChIKeyBNVSNTKOFMJXNM-UHFFFAOYSA-N
XLogP-9.09
TPSA123.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.93
LogP ≤ 5-9.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;hydrogen borate
CID 14496929
disodium;boric acid;carbonic acid;carbonate
CID 158571520
copper;hydrogen borate;oxalic acid
CID 175216569
disodium;hydrogen borate;hexahydrate
CID 158511023
pentadecahectasodium;carbonic acid
CID 173256728
dipotassium;disodium;azane;carbonic acid;dicarbonate
CID 173340868
potassium;sodium;carbonic acid;hydrogen carbonate;hydroxide
CID 161222567
dodecasodium;carbonic acid;hexacarbonate
CID 173011639
pentacontasodium;carbonic acid;pentacosacarbonate
CID 173275921
hexatriacontasodium;carbonic acid;hydrogen carbonate
CID 173333851
decapotassium;carbonic acid;pentacarbonate
CID 173334932
icosapotassium;carbonic acid;hydrogen carbonate
CID 173305158

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;carbonic acid;hydrogen borate?
The IUPAC name of potassium;sodium;carbonic acid;hydrogen borate (CID 157407126) is potassium;sodium;carbonic acid;hydrogen borate.
What is the SMILES notation for potassium;sodium;carbonic acid;hydrogen borate?
The canonical SMILES for potassium;sodium;carbonic acid;hydrogen borate is O=C(O)O.[K+].[Na+].[O-]B([O-])O.
What is the InChIKey of potassium;sodium;carbonic acid;hydrogen borate?
The InChIKey is BNVSNTKOFMJXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.BHO3.K.Na/c2*2-1(3)4;;/h(H2,2,3,4);2H;;/q;-2;2*+1.
What are the key properties of potassium;sodium;carbonic acid;hydrogen borate?
potassium;sodium;carbonic acid;hydrogen borate has a molecular weight of 183.93 g/mol, XLogP of -9.09, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;carbonic acid;hydrogen borate is sourced from PubChem (CID 157407126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).