sodium;barium(2+);hydrogen carbonate;carbonate

C2HBaNaO6 — CID 159640552

IUPACsodium;barium(2+);hydrogen carbonate;carbonate
SMILESO=C([O-])O.O=C([O-])[O-].[Ba+2].[Na+]
InChIInChI=1S/2CH2O3.Ba.Na/c2*2-1(3)4;;/h2*(H2,2,3,4);;/q;;+2;+1/p-3
InChIKeyMQHKMRRLYVYCHX-UHFFFAOYSA-K
MW281.34 g/mol
LogP-6.94
Rot. Bonds

About sodium;barium(2+);hydrogen carbonate;carbonate

sodium;barium(2+);hydrogen carbonate;carbonate (PubChem CID 159640552) has the molecular formula C2HBaNaO6 and a molecular weight of 281.34 g/mol. Its IUPAC name is sodium;barium(2+);hydrogen carbonate;carbonate.

Molecular Properties

Compound Namesodium;barium(2+);hydrogen carbonate;carbonate
PubChem CID159640552
Molecular FormulaC2HBaNaO6
Molecular Weight281.34 g/mol
Exact Mass281.87
IUPAC Namesodium;barium(2+);hydrogen carbonate;carbonate
SMILESO=C([O-])O.O=C([O-])[O-].[Ba+2].[Na+]
InChIInChI=1S/2CH2O3.Ba.Na/c2*2-1(3)4;;/h2*(H2,2,3,4);;/q;;+2;+1/p-3
InChIKeyMQHKMRRLYVYCHX-UHFFFAOYSA-K
XLogP-6.94
TPSA123.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-6.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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sodium;zinc;hydrogen carbonate;carbonate
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trisodium;hydrogen carbonate;carbonate;dihydrate
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barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate
CID 174820064
calcium;disodium;hydrogen carbonate;carbonate;chloride
CID 159024074
sodium;hydrogen carbonate;rhodium(3+)
CID 158976789
dodecasodium;carbonic acid;hexacarbonate
CID 173011639
pentacontasodium;carbonic acid;pentacosacarbonate
CID 173275921
copper;sodium;hydrogen carbonate
CID 158630048
hexatriacontasodium;carbonic acid;hydrogen carbonate
CID 173333851
barium(2+);hydrogen carbonate;chloride
CID 88771377
sodium;arsane;hydrogen carbonate
CID 175072054

Frequently Asked Questions

What is the IUPAC name of sodium;barium(2+);hydrogen carbonate;carbonate?
The IUPAC name of sodium;barium(2+);hydrogen carbonate;carbonate (CID 159640552) is sodium;barium(2+);hydrogen carbonate;carbonate.
What is the SMILES notation for sodium;barium(2+);hydrogen carbonate;carbonate?
The canonical SMILES for sodium;barium(2+);hydrogen carbonate;carbonate is O=C([O-])O.O=C([O-])[O-].[Ba+2].[Na+].
What is the InChIKey of sodium;barium(2+);hydrogen carbonate;carbonate?
The InChIKey is MQHKMRRLYVYCHX-UHFFFAOYSA-K. The full InChI is InChI=1S/2CH2O3.Ba.Na/c2*2-1(3)4;;/h2*(H2,2,3,4);;/q;;+2;+1/p-3.
What are the key properties of sodium;barium(2+);hydrogen carbonate;carbonate?
sodium;barium(2+);hydrogen carbonate;carbonate has a molecular weight of 281.34 g/mol, XLogP of -6.94, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;barium(2+);hydrogen carbonate;carbonate is sourced from PubChem (CID 159640552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).