sodium;azane;hydrogen sulfate;phosphoric acid

H7NNaO8PS — CID 174408552

IUPACsodium;azane;hydrogen sulfate;phosphoric acid
SMILESN.O=P(O)(O)O.O=S(=O)([O-])O.[Na+]
InChIInChI=1S/H3N.Na.H3O4P.H2O4S/c;;2*1-5(2,3)4/h1H3;;(H3,1,2,3,4);(H2,1,2,3,4)/q;+1;;/p-1
InChIKeyYYRQHJQOVKTWER-UHFFFAOYSA-M
MW235.09 g/mol
LogP-4.76
Rot. Bonds

About sodium;azane;hydrogen sulfate;phosphoric acid

sodium;azane;hydrogen sulfate;phosphoric acid (PubChem CID 174408552) has the molecular formula H7NNaO8PS and a molecular weight of 235.09 g/mol. Its IUPAC name is sodium;azane;hydrogen sulfate;phosphoric acid.

Molecular Properties

Compound Namesodium;azane;hydrogen sulfate;phosphoric acid
PubChem CID174408552
Molecular FormulaH7NNaO8PS
Molecular Weight235.09 g/mol
Exact Mass234.95
IUPAC Namesodium;azane;hydrogen sulfate;phosphoric acid
SMILESN.O=P(O)(O)O.O=S(=O)([O-])O.[Na+]
InChIInChI=1S/H3N.Na.H3O4P.H2O4S/c;;2*1-5(2,3)4/h1H3;;(H3,1,2,3,4);(H2,1,2,3,4)/q;+1;;/p-1
InChIKeyYYRQHJQOVKTWER-UHFFFAOYSA-M
XLogP-4.76
TPSA190.19 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.09
LogP ≤ 5-4.76
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

disodium;azane;dihydrogen phosphate;hydrogen sulfate
CID 174831334
azane;phosphoric acid;sulfuric acid
CID 173395945
sodium;azane;hydrogen sulfate;hydrochloride
CID 173374550
potassium;sodium;azane;hydride;phosphoric acid;sulfuric acid
CID 173414415
barium(2+);phosphoric acid;sulfate
CID 158725602
CID 20581843
CID 20581843
sodium;hydrogen peroxide;hydrogen sulfate
CID 159927283
bis(barium(2+));hydrogen sulfate;phosphate
CID 158393745
azane;hydrogen sulfate;vanadium;sulfate
CID 171375501
disodium;hydrogen sulfate;hydroxide;hydrochloride
CID 158787681
calcium;zinc;hydrogen sulfate;phosphate
CID 162177681
potassium;azane;dihydrogen phosphate;sulfuric acid
CID 174800048

Frequently Asked Questions

What is the IUPAC name of sodium;azane;hydrogen sulfate;phosphoric acid?
The IUPAC name of sodium;azane;hydrogen sulfate;phosphoric acid (CID 174408552) is sodium;azane;hydrogen sulfate;phosphoric acid.
What is the SMILES notation for sodium;azane;hydrogen sulfate;phosphoric acid?
The canonical SMILES for sodium;azane;hydrogen sulfate;phosphoric acid is N.O=P(O)(O)O.O=S(=O)([O-])O.[Na+].
What is the InChIKey of sodium;azane;hydrogen sulfate;phosphoric acid?
The InChIKey is YYRQHJQOVKTWER-UHFFFAOYSA-M. The full InChI is InChI=1S/H3N.Na.H3O4P.H2O4S/c;;2*1-5(2,3)4/h1H3;;(H3,1,2,3,4);(H2,1,2,3,4)/q;+1;;/p-1.
What are the key properties of sodium;azane;hydrogen sulfate;phosphoric acid?
sodium;azane;hydrogen sulfate;phosphoric acid has a molecular weight of 235.09 g/mol, XLogP of -4.76, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;hydrogen sulfate;phosphoric acid is sourced from PubChem (CID 174408552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).