sodium;hydrogen sulfite;phosphoric acid

H4NaO7PS — CID 160752930

IUPACsodium;hydrogen sulfite;phosphoric acid
SMILESO=P(O)(O)O.O=S([O-])O.[Na+]
InChIInChI=1S/Na.H3O4P.H2O3S/c;1-5(2,3)4;1-4(2)3/h;(H3,1,2,3,4);(H2,1,2,3)/q+1;;/p-1
InChIKeyRXBHCIBQKIAYOQ-UHFFFAOYSA-M
MW202.06 g/mol
LogP-4.59
Rot. Bonds

About sodium;hydrogen sulfite;phosphoric acid

sodium;hydrogen sulfite;phosphoric acid (PubChem CID 160752930) has the molecular formula H4NaO7PS and a molecular weight of 202.06 g/mol. Its IUPAC name is sodium;hydrogen sulfite;phosphoric acid.

Molecular Properties

Compound Namesodium;hydrogen sulfite;phosphoric acid
PubChem CID160752930
Molecular FormulaH4NaO7PS
Molecular Weight202.06 g/mol
Exact Mass201.93
IUPAC Namesodium;hydrogen sulfite;phosphoric acid
SMILESO=P(O)(O)O.O=S([O-])O.[Na+]
InChIInChI=1S/Na.H3O4P.H2O3S/c;1-5(2,3)4;1-4(2)3/h;(H3,1,2,3,4);(H2,1,2,3)/q+1;;/p-1
InChIKeyRXBHCIBQKIAYOQ-UHFFFAOYSA-M
XLogP-4.59
TPSA138.12 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 5-4.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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sodium;hydrogen sulfite;sulfurous acid
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iodanium;disodium;hydrogen sulfite;sulfite
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trisodium;hydrogen sulfite;bromide;chloride
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cerium(3+);hydrogen sulfite
CID 22269524
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hydrogen sulfite;tantalum
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Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen sulfite;phosphoric acid?
The IUPAC name of sodium;hydrogen sulfite;phosphoric acid (CID 160752930) is sodium;hydrogen sulfite;phosphoric acid.
What is the SMILES notation for sodium;hydrogen sulfite;phosphoric acid?
The canonical SMILES for sodium;hydrogen sulfite;phosphoric acid is O=P(O)(O)O.O=S([O-])O.[Na+].
What is the InChIKey of sodium;hydrogen sulfite;phosphoric acid?
The InChIKey is RXBHCIBQKIAYOQ-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H3O4P.H2O3S/c;1-5(2,3)4;1-4(2)3/h;(H3,1,2,3,4);(H2,1,2,3)/q+1;;/p-1.
What are the key properties of sodium;hydrogen sulfite;phosphoric acid?
sodium;hydrogen sulfite;phosphoric acid has a molecular weight of 202.06 g/mol, XLogP of -4.59, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen sulfite;phosphoric acid is sourced from PubChem (CID 160752930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).