disodium;azane;dihydrogen phosphate;hydrogen sulfate

H6NNa2O8PS — CID 174831334

IUPACdisodium;azane;dihydrogen phosphate;hydrogen sulfate
SMILESN.O=P([O-])(O)O.O=S(=O)([O-])O.[Na+].[Na+]
InChIInChI=1S/H3N.2Na.H3O4P.H2O4S/c;;;2*1-5(2,3)4/h1H3;;;(H3,1,2,3,4);(H2,1,2,3,4)/q;2*+1;;/p-2
InChIKeyIKFKLTZSBMCEJO-UHFFFAOYSA-L
MW257.07 g/mol
LogP-8.39
Rot. Bonds

About disodium;azane;dihydrogen phosphate;hydrogen sulfate

disodium;azane;dihydrogen phosphate;hydrogen sulfate (PubChem CID 174831334) has the molecular formula H6NNa2O8PS and a molecular weight of 257.07 g/mol. Its IUPAC name is disodium;azane;dihydrogen phosphate;hydrogen sulfate.

Molecular Properties

Compound Namedisodium;azane;dihydrogen phosphate;hydrogen sulfate
PubChem CID174831334
Molecular FormulaH6NNa2O8PS
Molecular Weight257.07 g/mol
Exact Mass256.93
IUPAC Namedisodium;azane;dihydrogen phosphate;hydrogen sulfate
SMILESN.O=P([O-])(O)O.O=S(=O)([O-])O.[Na+].[Na+]
InChIInChI=1S/H3N.2Na.H3O4P.H2O4S/c;;;2*1-5(2,3)4/h1H3;;;(H3,1,2,3,4);(H2,1,2,3,4)/q;2*+1;;/p-2
InChIKeyIKFKLTZSBMCEJO-UHFFFAOYSA-L
XLogP-8.39
TPSA193.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 5-8.39
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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potassium;azane;dihydrogen phosphate;sulfuric acid
CID 174800048
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sodium;azane;hydrogen sulfate;hydrochloride
CID 173374550
sodium dihydroxy(32P)phosphinate
CID 23694678
azanium;calcium;dihydrogen phosphate;sulfate
CID 162180049
calcium;zinc;hydrogen sulfate;phosphate
CID 162177681
disodium;dihydrogen phosphate;hydride
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CID 159927283
disodium;dihydrogen phosphate;fluoride
CID 159057923
lithium;dihydrogen phosphate;hydrate
CID 162740181
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615

Frequently Asked Questions

What is the IUPAC name of disodium;azane;dihydrogen phosphate;hydrogen sulfate?
The IUPAC name of disodium;azane;dihydrogen phosphate;hydrogen sulfate (CID 174831334) is disodium;azane;dihydrogen phosphate;hydrogen sulfate.
What is the SMILES notation for disodium;azane;dihydrogen phosphate;hydrogen sulfate?
The canonical SMILES for disodium;azane;dihydrogen phosphate;hydrogen sulfate is N.O=P([O-])(O)O.O=S(=O)([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;azane;dihydrogen phosphate;hydrogen sulfate?
The InChIKey is IKFKLTZSBMCEJO-UHFFFAOYSA-L. The full InChI is InChI=1S/H3N.2Na.H3O4P.H2O4S/c;;;2*1-5(2,3)4/h1H3;;;(H3,1,2,3,4);(H2,1,2,3,4)/q;2*+1;;/p-2.
What are the key properties of disodium;azane;dihydrogen phosphate;hydrogen sulfate?
disodium;azane;dihydrogen phosphate;hydrogen sulfate has a molecular weight of 257.07 g/mol, XLogP of -8.39, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;azane;dihydrogen phosphate;hydrogen sulfate is sourced from PubChem (CID 174831334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).