About hexatriacontasodium;carbonic acid;hydrogen carbonate
hexatriacontasodium;carbonic acid;hydrogen carbonate (PubChem CID 173333851) has the molecular formula C95H154Na36O285
and a molecular weight of 6683.63 g/mol. Its IUPAC name is hexatriacontasodium;carbonic acid;hydrogen carbonate.
Molecular Properties
| Compound Name | hexatriacontasodium;carbonic acid;hydrogen carbonate |
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| PubChem CID | 173333851 |
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| Molecular Formula | C95H154Na36O285 |
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| Molecular Weight | 6683.63 g/mol |
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| Exact Mass | 6681.39 |
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| IUPAC Name | hexatriacontasodium;carbonic acid;hydrogen carbonate |
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| 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.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.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+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
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| InChI | InChI=1S/95CH2O3.36Na/c95*2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h95*(H2,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;36*+1/p-36 |
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| InChIKey | RJAGHLMSHLPLGA-UHFFFAOYSA-A |
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| XLogP | -134.78 |
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| TPSA | 5567.23 Ų |
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| H-Bond Donors | 154 |
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| H-Bond Acceptors | 131 |
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| Rotatable Bonds | |
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| Heavy Atoms | 416 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 6683.63 |
| LogP ≤ 5 | -134.78 |
| H-Bond Donors ≤ 5 | 154 |
| H-Bond Acceptors ≤ 10 | 131 |
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Frequently Asked Questions
What is the IUPAC name of hexatriacontasodium;carbonic acid;hydrogen carbonate?
The IUPAC name of hexatriacontasodium;carbonic acid;hydrogen carbonate (CID 173333851) is hexatriacontasodium;carbonic acid;hydrogen carbonate.
What is the SMILES notation for hexatriacontasodium;carbonic acid;hydrogen carbonate?
The canonical SMILES for hexatriacontasodium;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.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C(O)O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.O=C([O-])O.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+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexatriacontasodium;carbonic acid;hydrogen carbonate?
The InChIKey is RJAGHLMSHLPLGA-UHFFFAOYSA-A. The full InChI is InChI=1S/95CH2O3.36Na/c95*2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h95*(H2,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;36*+1/p-36.
What are the key properties of hexatriacontasodium;carbonic acid;hydrogen carbonate?
hexatriacontasodium;carbonic acid;hydrogen carbonate has a molecular weight of 6683.63 g/mol, XLogP of -134.78, 0 rotatable bonds, 154 hydrogen bond donors, and 131 hydrogen bond acceptors.
Where does this data come from?
All data for hexatriacontasodium;carbonic acid;hydrogen carbonate is sourced from PubChem (CID 173333851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).