sodium;hydrogen sulfate;phosphorous acid

H4NaO7PS — CID 160651784

IUPACsodium;hydrogen sulfate;phosphorous acid
SMILESO=S(=O)([O-])O.OP(O)O.[Na+]
InChIInChI=1S/Na.H2O4S.H3O3P/c;1-5(2,3)4;1-4(2)3/h;(H2,1,2,3,4);1-3H/q+1;;/p-1
InChIKeyRKNDRUCHRMEGBU-UHFFFAOYSA-M
MW202.06 g/mol
LogP-4.80
Rot. Bonds

About sodium;hydrogen sulfate;phosphorous acid

sodium;hydrogen sulfate;phosphorous acid (PubChem CID 160651784) has the molecular formula H4NaO7PS and a molecular weight of 202.06 g/mol. Its IUPAC name is sodium;hydrogen sulfate;phosphorous acid.

Molecular Properties

Compound Namesodium;hydrogen sulfate;phosphorous acid
PubChem CID160651784
Molecular FormulaH4NaO7PS
Molecular Weight202.06 g/mol
Exact Mass201.93
IUPAC Namesodium;hydrogen sulfate;phosphorous acid
SMILESO=S(=O)([O-])O.OP(O)O.[Na+]
InChIInChI=1S/Na.H2O4S.H3O3P/c;1-5(2,3)4;1-4(2)3/h;(H2,1,2,3,4);1-3H/q+1;;/p-1
InChIKeyRKNDRUCHRMEGBU-UHFFFAOYSA-M
XLogP-4.80
TPSA138.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.06
LogP ≤ 5-4.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen sulfate;phosphorous acid?
The IUPAC name of sodium;hydrogen sulfate;phosphorous acid (CID 160651784) is sodium;hydrogen sulfate;phosphorous acid.
What is the SMILES notation for sodium;hydrogen sulfate;phosphorous acid?
The canonical SMILES for sodium;hydrogen sulfate;phosphorous acid is O=S(=O)([O-])O.OP(O)O.[Na+].
What is the InChIKey of sodium;hydrogen sulfate;phosphorous acid?
The InChIKey is RKNDRUCHRMEGBU-UHFFFAOYSA-M. The full InChI is InChI=1S/Na.H2O4S.H3O3P/c;1-5(2,3)4;1-4(2)3/h;(H2,1,2,3,4);1-3H/q+1;;/p-1.
What are the key properties of sodium;hydrogen sulfate;phosphorous acid?
sodium;hydrogen sulfate;phosphorous acid has a molecular weight of 202.06 g/mol, XLogP of -4.80, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen sulfate;phosphorous acid is sourced from PubChem (CID 160651784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).