sodium;hydrogen sulfite;sulfurous acid

H71NaO108S36 — CID 173350028

IUPACsodium;hydrogen sulfite;sulfurous acid
SMILESO=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S([O-])O.[Na+]
InChIInChI=1S/Na.36H2O3S/c;36*1-4(2)3/h;36*(H2,1,2,3)/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-1
InChIKeyNVZOVVDDVXTHDZ-UHFFFAOYSA-M
MW2976.86 g/mol
LogP-14.82
Rot. Bonds

About sodium;hydrogen sulfite;sulfurous acid

sodium;hydrogen sulfite;sulfurous acid (PubChem CID 173350028) has the molecular formula H71NaO108S36 and a molecular weight of 2976.86 g/mol. Its IUPAC name is sodium;hydrogen sulfite;sulfurous acid.

Molecular Properties

Compound Namesodium;hydrogen sulfite;sulfurous acid
PubChem CID173350028
Molecular FormulaH71NaO108S36
Molecular Weight2976.86 g/mol
Exact Mass2972.99
IUPAC Namesodium;hydrogen sulfite;sulfurous acid
SMILESO=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S([O-])O.[Na+]
InChIInChI=1S/Na.36H2O3S/c;36*1-4(2)3/h;36*(H2,1,2,3)/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-1
InChIKeyNVZOVVDDVXTHDZ-UHFFFAOYSA-M
XLogP-14.82
TPSA2073.91 Ų
H-Bond Donors71
H-Bond Acceptors37
Rotatable Bonds
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002976.86
LogP ≤ 5-14.82
H-Bond Donors ≤ 571
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

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iodanium;disodium;hydrogen sulfite;sulfite
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trisodium;hydrogen sulfite;bromide;chloride
CID 172849286
hydrogen sulfite;phosphane
CID 173071517
cerium(3+);hydrogen sulfite
CID 22269524
hydrogen sulfite;tantalum
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hydrogen sulfite;scandium
CID 174863397
hydrogen sulfite;λ2-plumbane
CID 174301264
dipotassium;disodium;hydride;sulfurous acid;sulfite
CID 173373429
potassium;hydrogen peroxide;hydrogen sulfite
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hydrogen sulfite;zinc;dihydrate
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Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen sulfite;sulfurous acid?
The IUPAC name of sodium;hydrogen sulfite;sulfurous acid (CID 173350028) is sodium;hydrogen sulfite;sulfurous acid.
What is the SMILES notation for sodium;hydrogen sulfite;sulfurous acid?
The canonical SMILES for sodium;hydrogen sulfite;sulfurous acid is O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S(O)O.O=S([O-])O.[Na+].
What is the InChIKey of sodium;hydrogen sulfite;sulfurous acid?
The InChIKey is NVZOVVDDVXTHDZ-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.36H2O3S/c;36*1-4(2)3/h;36*(H2,1,2,3)/q+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-1.
What are the key properties of sodium;hydrogen sulfite;sulfurous acid?
sodium;hydrogen sulfite;sulfurous acid has a molecular weight of 2976.86 g/mol, XLogP of -14.82, 0 rotatable bonds, 71 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen sulfite;sulfurous acid is sourced from PubChem (CID 173350028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).