trisodium;carbonic acid;sulfuric acid;phosphate

CH4Na3O11PS — CID 173387639

IUPACtrisodium;carbonic acid;sulfuric acid;phosphate
SMILESO=C(O)O.O=P([O-])([O-])[O-].O=S(=O)(O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/CH2O3.3Na.H3O4P.H2O4S/c2-1(3)4;;;;2*1-5(2,3)4/h(H2,2,3,4);;;;(H3,1,2,3,4);(H2,1,2,3,4)/q;3*+1;;/p-3
InChIKeyBOQFKBPQTOOKKF-UHFFFAOYSA-K
MW324.04 g/mol
LogP-12.24
Rot. Bonds

About trisodium;carbonic acid;sulfuric acid;phosphate

trisodium;carbonic acid;sulfuric acid;phosphate (PubChem CID 173387639) has the molecular formula CH4Na3O11PS and a molecular weight of 324.04 g/mol. Its IUPAC name is trisodium;carbonic acid;sulfuric acid;phosphate.

Molecular Properties

Compound Nametrisodium;carbonic acid;sulfuric acid;phosphate
PubChem CID173387639
Molecular FormulaCH4Na3O11PS
Molecular Weight324.04 g/mol
Exact Mass323.89
IUPAC Nametrisodium;carbonic acid;sulfuric acid;phosphate
SMILESO=C(O)O.O=P([O-])([O-])[O-].O=S(=O)(O)O.[Na+].[Na+].[Na+]
InChIInChI=1S/CH2O3.3Na.H3O4P.H2O4S/c2-1(3)4;;;;2*1-5(2,3)4/h(H2,2,3,4);;;;(H3,1,2,3,4);(H2,1,2,3,4)/q;3*+1;;/p-3
InChIKeyBOQFKBPQTOOKKF-UHFFFAOYSA-K
XLogP-12.24
TPSA218.38 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.04
LogP ≤ 5-12.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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tetrasodium;carbonic acid;dihydrogen phosphate;phosphate;dodecahydrate
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calcium;sodium;carbonic acid;hydride;sulfuric acid
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sodium;carbonic acid;hydride;silver;sulfuric acid
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dilithium;carbonic acid;hydride;sulfuric acid
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CID 172720333
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CID 158393745
calcium;dimagnesium;sodium;carbonic acid;oxygen(2-);carbonate;phosphate
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Frequently Asked Questions

What is the IUPAC name of trisodium;carbonic acid;sulfuric acid;phosphate?
The IUPAC name of trisodium;carbonic acid;sulfuric acid;phosphate (CID 173387639) is trisodium;carbonic acid;sulfuric acid;phosphate.
What is the SMILES notation for trisodium;carbonic acid;sulfuric acid;phosphate?
The canonical SMILES for trisodium;carbonic acid;sulfuric acid;phosphate is O=C(O)O.O=P([O-])([O-])[O-].O=S(=O)(O)O.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;carbonic acid;sulfuric acid;phosphate?
The InChIKey is BOQFKBPQTOOKKF-UHFFFAOYSA-K. The full InChI is InChI=1S/CH2O3.3Na.H3O4P.H2O4S/c2-1(3)4;;;;2*1-5(2,3)4/h(H2,2,3,4);;;;(H3,1,2,3,4);(H2,1,2,3,4)/q;3*+1;;/p-3.
What are the key properties of trisodium;carbonic acid;sulfuric acid;phosphate?
trisodium;carbonic acid;sulfuric acid;phosphate has a molecular weight of 324.04 g/mol, XLogP of -12.24, 0 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;carbonic acid;sulfuric acid;phosphate is sourced from PubChem (CID 173387639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).