About decacalcium;carbonic acid;decacarbonate
decacalcium;carbonic acid;decacarbonate (PubChem CID 173264131) has the molecular formula C50H80Ca10O150
and a molecular weight of 3481.82 g/mol. Its IUPAC name is decacalcium;carbonic acid;decacarbonate.
Molecular Properties
| Compound Name | decacalcium;carbonic acid;decacarbonate |
|---|
| PubChem CID | 173264131 |
|---|
| Molecular Formula | C50H80Ca10O150 |
|---|
| Molecular Weight | 3481.82 g/mol |
|---|
| Exact Mass | 3479.49 |
|---|
| IUPAC Name | decacalcium;carbonic acid;decacarbonate |
|---|
| 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-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2] |
|---|
| InChI | InChI=1S/50CH2O3.10Ca/c50*2-1(3)4;;;;;;;;;;/h50*(H2,2,3,4);;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+2/p-20 |
|---|
| InChIKey | GXVKRZQAYLCCPI-UHFFFAOYSA-A |
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| XLogP | -19.38 |
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| TPSA | 2933.10 Ų |
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| H-Bond Donors | 80 |
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| H-Bond Acceptors | 70 |
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| Rotatable Bonds | |
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| Heavy Atoms | 210 |
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| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 3481.82 |
| LogP ≤ 5 | -19.38 |
| H-Bond Donors ≤ 5 | 80 |
| H-Bond Acceptors ≤ 10 | 70 |
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Frequently Asked Questions
What is the IUPAC name of decacalcium;carbonic acid;decacarbonate?
The IUPAC name of decacalcium;carbonic acid;decacarbonate (CID 173264131) is decacalcium;carbonic acid;decacarbonate.
What is the SMILES notation for decacalcium;carbonic acid;decacarbonate?
The canonical SMILES for decacalcium;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.O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].
What is the InChIKey of decacalcium;carbonic acid;decacarbonate?
The InChIKey is GXVKRZQAYLCCPI-UHFFFAOYSA-A. The full InChI is InChI=1S/50CH2O3.10Ca/c50*2-1(3)4;;;;;;;;;;/h50*(H2,2,3,4);;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;10*+2/p-20.
What are the key properties of decacalcium;carbonic acid;decacarbonate?
decacalcium;carbonic acid;decacarbonate has a molecular weight of 3481.82 g/mol, XLogP of -19.38, 0 rotatable bonds, 80 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for decacalcium;carbonic acid;decacarbonate is sourced from PubChem (CID 173264131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).