About pentacontasodium;carbonic acid;pentacosacarbonate
pentacontasodium;carbonic acid;pentacosacarbonate (PubChem CID 173275921) has the molecular formula C70H90Na50O210
and a molecular weight of 5440.78 g/mol. Its IUPAC name is pentacontasodium;carbonic acid;pentacosacarbonate.
Molecular Properties
| Compound Name | pentacontasodium;carbonic acid;pentacosacarbonate |
|---|
| PubChem CID | 173275921 |
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| Molecular Formula | C70H90Na50O210 |
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| Molecular Weight | 5440.78 g/mol |
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| Exact Mass | 5439.12 |
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| IUPAC Name | pentacontasodium;carbonic acid;pentacosacarbonate |
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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-].[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+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
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| InChI | InChI=1S/70CH2O3.50Na/c70*2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h70*(H2,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;50*+1/p-50 |
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| InChIKey | GVZRZWQAHICKPF-UHFFFAOYSA-A |
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| XLogP | -200.97 |
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| TPSA | 4168.60 Ų |
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| H-Bond Donors | 90 |
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| H-Bond Acceptors | 120 |
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| Rotatable Bonds | |
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| Heavy Atoms | 330 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 5440.78 |
| LogP ≤ 5 | -200.97 |
| H-Bond Donors ≤ 5 | 90 |
| H-Bond Acceptors ≤ 10 | 120 |
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Frequently Asked Questions
What is the IUPAC name of pentacontasodium;carbonic acid;pentacosacarbonate?
The IUPAC name of pentacontasodium;carbonic acid;pentacosacarbonate (CID 173275921) is pentacontasodium;carbonic acid;pentacosacarbonate.
What is the SMILES notation for pentacontasodium;carbonic acid;pentacosacarbonate?
The canonical SMILES for pentacontasodium;carbonic acid;pentacosacarbonate 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-].[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+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of pentacontasodium;carbonic acid;pentacosacarbonate?
The InChIKey is GVZRZWQAHICKPF-UHFFFAOYSA-A. The full InChI is InChI=1S/70CH2O3.50Na/c70*2-1(3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h70*(H2,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;50*+1/p-50.
What are the key properties of pentacontasodium;carbonic acid;pentacosacarbonate?
pentacontasodium;carbonic acid;pentacosacarbonate has a molecular weight of 5440.78 g/mol, XLogP of -200.97, 0 rotatable bonds, 90 hydrogen bond donors, and 120 hydrogen bond acceptors.
Where does this data come from?
All data for pentacontasodium;carbonic acid;pentacosacarbonate is sourced from PubChem (CID 173275921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).