icosapotassium;carbonic acid;hydrogen carbonate

C35H50K20O105 — CID 173305158

IUPACicosapotassium;carbonic acid;hydrogen carbonate
SMILESO=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/35CH2O3.20K/c35*2-1(3)4;;;;;;;;;;;;;;;;;;;;/h35*(H2,2,3,4);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*+1/p-20
InChIKeyPBAKEKRIUVULPT-UHFFFAOYSA-A
MW2932.64 g/mol
LogP-78.83
Rot. Bonds

About icosapotassium;carbonic acid;hydrogen carbonate

icosapotassium;carbonic acid;hydrogen carbonate (PubChem CID 173305158) has the molecular formula C35H50K20O105 and a molecular weight of 2932.64 g/mol. Its IUPAC name is icosapotassium;carbonic acid;hydrogen carbonate.

Molecular Properties

Compound Nameicosapotassium;carbonic acid;hydrogen carbonate
PubChem CID173305158
Molecular FormulaC35H50K20O105
Molecular Weight2932.64 g/mol
Exact Mass2929.13
IUPAC Nameicosapotassium;carbonic acid;hydrogen carbonate
SMILESO=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/35CH2O3.20K/c35*2-1(3)4;;;;;;;;;;;;;;;;;;;;/h35*(H2,2,3,4);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*+1/p-20
InChIKeyPBAKEKRIUVULPT-UHFFFAOYSA-A
XLogP-78.83
TPSA2070.15 Ų
H-Bond Donors50
H-Bond Acceptors55
Rotatable Bonds
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002932.64
LogP ≤ 5-78.83
H-Bond Donors ≤ 550
H-Bond Acceptors ≤ 1055

Analyze icosapotassium;carbonic acid;hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;sodium;carbonic acid;hydrogen carbonate;hydroxide
CID 161222567
decapotassium;carbonic acid;pentacarbonate
CID 173334932
hexatriacontasodium;carbonic acid;hydrogen carbonate
CID 173333851
magnesium;carbonic acid;hydrogen carbonate
CID 174626115
zinc;azane;carbonic acid;hydrogen carbonate
CID 174841171
trisodium;carbonic acid;hydrogen carbonate;carbonate
CID 173334422
hydrogen carbonate;rhodium(3+)
CID 158592814
hydrogen carbonate;mercury(2+)
CID 23147660
hydrogen carbonate;tin(4+)
CID 159869349
cadmium(2+);hydrogen carbonate
CID 14094645
pentaazanium;hydrogen carbonate
CID 159428979
potassium;sodium;hydrogen carbonate;methanolate
CID 140661129

Frequently Asked Questions

What is the IUPAC name of icosapotassium;carbonic acid;hydrogen carbonate?
The IUPAC name of icosapotassium;carbonic acid;hydrogen carbonate (CID 173305158) is icosapotassium;carbonic acid;hydrogen carbonate.
What is the SMILES notation for icosapotassium;carbonic acid;hydrogen carbonate?
The canonical SMILES for icosapotassium;carbonic acid;hydrogen carbonate is O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of icosapotassium;carbonic acid;hydrogen carbonate?
The InChIKey is PBAKEKRIUVULPT-UHFFFAOYSA-A. The full InChI is InChI=1S/35CH2O3.20K/c35*2-1(3)4;;;;;;;;;;;;;;;;;;;;/h35*(H2,2,3,4);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*+1/p-20.
What are the key properties of icosapotassium;carbonic acid;hydrogen carbonate?
icosapotassium;carbonic acid;hydrogen carbonate has a molecular weight of 2932.64 g/mol, XLogP of -78.83, 0 rotatable bonds, 50 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for icosapotassium;carbonic acid;hydrogen carbonate is sourced from PubChem (CID 173305158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).