About decapotassium;carbonic acid;pentacarbonate
decapotassium;carbonic acid;pentacarbonate (PubChem CID 173334932) has the molecular formula C50H90K10O150
and a molecular weight of 3482.10 g/mol. Its IUPAC name is decapotassium;carbonic acid;pentacarbonate.
Molecular Properties
| Compound Name | decapotassium;carbonic acid;pentacarbonate |
|---|
| PubChem CID | 173334932 |
|---|
| Molecular Formula | C50H90K10O150 |
|---|
| Molecular Weight | 3482.10 g/mol |
|---|
| Exact Mass | 3479.58 |
|---|
| IUPAC Name | decapotassium;carbonic acid;pentacarbonate |
|---|
| SMILES | 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.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+] |
|---|
| InChI | InChI=1S/50CH2O3.10K/c50*2-1(3)4;;;;;;;;;;/h50*(H2,2,3,4);;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+1/p-10 |
|---|
| InChIKey | KQTMIQHTADHNDQ-UHFFFAOYSA-D |
|---|
| XLogP | -32.19 |
|---|
| TPSA | 2904.80 Ų |
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| H-Bond Donors | 90 |
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| H-Bond Acceptors | 60 |
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| Rotatable Bonds | |
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| Heavy Atoms | 210 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3482.10 |
| LogP ≤ 5 | -32.19 |
| H-Bond Donors ≤ 5 | 90 |
| H-Bond Acceptors ≤ 10 | 60 |
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Frequently Asked Questions
What is the IUPAC name of decapotassium;carbonic acid;pentacarbonate?
The IUPAC name of decapotassium;carbonic acid;pentacarbonate (CID 173334932) is decapotassium;carbonic acid;pentacarbonate.
What is the SMILES notation for decapotassium;carbonic acid;pentacarbonate?
The canonical SMILES for decapotassium;carbonic acid;pentacarbonate 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.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+].
What is the InChIKey of decapotassium;carbonic acid;pentacarbonate?
The InChIKey is KQTMIQHTADHNDQ-UHFFFAOYSA-D. The full InChI is InChI=1S/50CH2O3.10K/c50*2-1(3)4;;;;;;;;;;/h50*(H2,2,3,4);;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+1/p-10.
What are the key properties of decapotassium;carbonic acid;pentacarbonate?
decapotassium;carbonic acid;pentacarbonate has a molecular weight of 3482.10 g/mol, XLogP of -32.19, 0 rotatable bonds, 90 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for decapotassium;carbonic acid;pentacarbonate is sourced from PubChem (CID 173334932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).