icosasodium;carbonic acid;decacarbonate

C40H60Na20O120 — CID 173436065

IUPACicosasodium;carbonic acid;decacarbonate
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-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/40CH2O3.20Na/c40*2-1(3)4;;;;;;;;;;;;;;;;;;;;/h40*(H2,2,3,4);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*+1/p-20
InChIKeySYZMDFGEPUCSSK-UHFFFAOYSA-A
MW2920.60 g/mol
LogP-77.72
Rot. Bonds

About icosasodium;carbonic acid;decacarbonate

icosasodium;carbonic acid;decacarbonate (PubChem CID 173436065) has the molecular formula C40H60Na20O120 and a molecular weight of 2920.60 g/mol. Its IUPAC name is icosasodium;carbonic acid;decacarbonate.

Molecular Properties

Compound Nameicosasodium;carbonic acid;decacarbonate
PubChem CID173436065
Molecular FormulaC40H60Na20O120
Molecular Weight2920.60 g/mol
Exact Mass2919.65
IUPAC Nameicosasodium;carbonic acid;decacarbonate
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-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/40CH2O3.20Na/c40*2-1(3)4;;;;;;;;;;;;;;;;;;;;/h40*(H2,2,3,4);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*+1/p-20
InChIKeySYZMDFGEPUCSSK-UHFFFAOYSA-A
XLogP-77.72
TPSA2357.80 Ų
H-Bond Donors60
H-Bond Acceptors60
Rotatable Bonds
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002920.60
LogP ≤ 5-77.72
H-Bond Donors ≤ 560
H-Bond Acceptors ≤ 1060

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Related Compounds

dodecasodium;carbonic acid;hexacarbonate
CID 173011639
pentacontasodium;carbonic acid;pentacosacarbonate
CID 173275921
trisodium;carbonic acid;hydrogen carbonate;carbonate
CID 173334422
dipotassium;disodium;azane;carbonic acid;dicarbonate
CID 173340868
decapotassium;carbonic acid;pentacarbonate
CID 173334932
hexatriacontasodium;carbonic acid;hydrogen carbonate
CID 173333851
triacontacalcium;carbonic acid;triacontacarbonate
CID 173108074
triacontamagnesium;carbonic acid;triacontacarbonate
CID 173337540
decacalcium;carbonic acid;decacarbonate
CID 173264131
icosacalcium;carbonic acid;icosacarbonate
CID 173172456
hexadecasodium;octacarbonate
CID 141056250
disodium;boric acid;carbonic acid;carbonate
CID 158571520

Frequently Asked Questions

What is the IUPAC name of icosasodium;carbonic acid;decacarbonate?
The IUPAC name of icosasodium;carbonic acid;decacarbonate (CID 173436065) is icosasodium;carbonic acid;decacarbonate.
What is the SMILES notation for icosasodium;carbonic acid;decacarbonate?
The canonical SMILES for icosasodium;carbonic acid;decacarbonate 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-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of icosasodium;carbonic acid;decacarbonate?
The InChIKey is SYZMDFGEPUCSSK-UHFFFAOYSA-A. The full InChI is InChI=1S/40CH2O3.20Na/c40*2-1(3)4;;;;;;;;;;;;;;;;;;;;/h40*(H2,2,3,4);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;20*+1/p-20.
What are the key properties of icosasodium;carbonic acid;decacarbonate?
icosasodium;carbonic acid;decacarbonate has a molecular weight of 2920.60 g/mol, XLogP of -77.72, 0 rotatable bonds, 60 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for icosasodium;carbonic acid;decacarbonate is sourced from PubChem (CID 173436065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).