barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate

C4H3BaO12Y — CID 174820064

IUPACbarium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate
SMILESO=C(O)O.O=C([O-])O.O=C([O-])[O-].O=C([O-])[O-].[Ba+2].[Y+3]
InChIInChI=1S/4CH2O3.Ba.Y/c4*2-1(3)4;;/h4*(H2,2,3,4);;/q;;;;+2;+3/p-5
InChIKeyXJWZZMQAJDREQE-UHFFFAOYSA-I
MW469.29 g/mol
LogP-6.17
Rot. Bonds

About barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate

barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate (PubChem CID 174820064) has the molecular formula C4H3BaO12Y and a molecular weight of 469.29 g/mol. Its IUPAC name is barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate.

Molecular Properties

Compound Namebarium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate
PubChem CID174820064
Molecular FormulaC4H3BaO12Y
Molecular Weight469.29 g/mol
Exact Mass469.77
IUPAC Namebarium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate
SMILESO=C(O)O.O=C([O-])O.O=C([O-])[O-].O=C([O-])[O-].[Ba+2].[Y+3]
InChIInChI=1S/4CH2O3.Ba.Y/c4*2-1(3)4;;/h4*(H2,2,3,4);;/q;;;;+2;+3/p-5
InChIKeyXJWZZMQAJDREQE-UHFFFAOYSA-I
XLogP-6.17
TPSA244.27 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.29
LogP ≤ 5-6.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

sodium;barium(2+);hydrogen carbonate;carbonate
CID 159640552
trisodium;carbonic acid;hydrogen carbonate;carbonate
CID 173334422
barium(2+);hydrogen carbonate;fluoride
CID 142764038
decapotassium;carbonic acid;pentacarbonate
CID 173334932
dodecasodium;carbonic acid;hexacarbonate
CID 173011639
pentacontasodium;carbonic acid;pentacosacarbonate
CID 173275921
hexatriacontasodium;carbonic acid;hydrogen carbonate
CID 173333851
magnesium;carbonic acid;hydrogen carbonate
CID 174626115
barium(2+);hydrogen carbonate;chloride
CID 88771377
icosapotassium;carbonic acid;hydrogen carbonate
CID 173305158
barium(2+);iron(2+);oxygen(2-);carbonate
CID 158757075
triacontacalcium;carbonic acid;triacontacarbonate
CID 173108074

Frequently Asked Questions

What is the IUPAC name of barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate?
The IUPAC name of barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate (CID 174820064) is barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate.
What is the SMILES notation for barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate?
The canonical SMILES for barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate is O=C(O)O.O=C([O-])O.O=C([O-])[O-].O=C([O-])[O-].[Ba+2].[Y+3].
What is the InChIKey of barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate?
The InChIKey is XJWZZMQAJDREQE-UHFFFAOYSA-I. The full InChI is InChI=1S/4CH2O3.Ba.Y/c4*2-1(3)4;;/h4*(H2,2,3,4);;/q;;;;+2;+3/p-5.
What are the key properties of barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate?
barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate has a molecular weight of 469.29 g/mol, XLogP of -6.17, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);carbonic acid;hydrogen carbonate;yttrium(3+);dicarbonate is sourced from PubChem (CID 174820064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).