calcium;sodium;carbonic acid;hydride;sulfuric acid

CH7CaNaO7S — CID 174433477

IUPACcalcium;sodium;carbonic acid;hydride;sulfuric acid
SMILESO=C(O)O.O=S(=O)(O)O.[Ca+2].[H-].[H-].[H-].[Na+]
InChIInChI=1S/CH2O3.Ca.Na.H2O4S.3H/c2-1(3)4;;;1-5(2,3)4;;;/h(H2,2,3,4);;;(H2,1,2,3,4);;;/q;+2;+1;;3*-1
InChIKeyVNBPIPGRGQOTAS-UHFFFAOYSA-N
MW226.20 g/mol
LogP-3.47
Rot. Bonds

About calcium;sodium;carbonic acid;hydride;sulfuric acid

calcium;sodium;carbonic acid;hydride;sulfuric acid (PubChem CID 174433477) has the molecular formula CH7CaNaO7S and a molecular weight of 226.20 g/mol. Its IUPAC name is calcium;sodium;carbonic acid;hydride;sulfuric acid.

Molecular Properties

Compound Namecalcium;sodium;carbonic acid;hydride;sulfuric acid
PubChem CID174433477
Molecular FormulaCH7CaNaO7S
Molecular Weight226.20 g/mol
Exact Mass225.94
IUPAC Namecalcium;sodium;carbonic acid;hydride;sulfuric acid
SMILESO=C(O)O.O=S(=O)(O)O.[Ca+2].[H-].[H-].[H-].[Na+]
InChIInChI=1S/CH2O3.Ca.Na.H2O4S.3H/c2-1(3)4;;;1-5(2,3)4;;;/h(H2,2,3,4);;;(H2,1,2,3,4);;;/q;+2;+1;;3*-1
InChIKeyVNBPIPGRGQOTAS-UHFFFAOYSA-N
XLogP-3.47
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-3.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;sodium;carbonic acid;hydride;sulfuric acid?
The IUPAC name of calcium;sodium;carbonic acid;hydride;sulfuric acid (CID 174433477) is calcium;sodium;carbonic acid;hydride;sulfuric acid.
What is the SMILES notation for calcium;sodium;carbonic acid;hydride;sulfuric acid?
The canonical SMILES for calcium;sodium;carbonic acid;hydride;sulfuric acid is O=C(O)O.O=S(=O)(O)O.[Ca+2].[H-].[H-].[H-].[Na+].
What is the InChIKey of calcium;sodium;carbonic acid;hydride;sulfuric acid?
The InChIKey is VNBPIPGRGQOTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.Ca.Na.H2O4S.3H/c2-1(3)4;;;1-5(2,3)4;;;/h(H2,2,3,4);;;(H2,1,2,3,4);;;/q;+2;+1;;3*-1.
What are the key properties of calcium;sodium;carbonic acid;hydride;sulfuric acid?
calcium;sodium;carbonic acid;hydride;sulfuric acid has a molecular weight of 226.20 g/mol, XLogP of -3.47, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;sodium;carbonic acid;hydride;sulfuric acid is sourced from PubChem (CID 174433477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).