azane;sulfo dihydrogen phosphate

H9N2O7PS — CID 173203542

IUPACazane;sulfo dihydrogen phosphate
SMILESN.N.O=P(O)(O)OS(=O)(=O)O
InChIInChI=1S/2H3N.H3O7PS/c;;1-8(2,3)7-9(4,5)6/h2*1H3;(H2,1,2,3)(H,4,5,6)
InChIKeyJUOKUSPNYWWXLS-UHFFFAOYSA-N
MW212.12 g/mol
LogP-0.78
Rot. Bonds2

About azane;sulfo dihydrogen phosphate

azane;sulfo dihydrogen phosphate (PubChem CID 173203542) has the molecular formula H9N2O7PS and a molecular weight of 212.12 g/mol. Its IUPAC name is azane;sulfo dihydrogen phosphate.

Molecular Properties

Compound Nameazane;sulfo dihydrogen phosphate
PubChem CID173203542
Molecular FormulaH9N2O7PS
Molecular Weight212.12 g/mol
Exact Mass211.99
IUPAC Nameazane;sulfo dihydrogen phosphate
SMILESN.N.O=P(O)(O)OS(=O)(=O)O
InChIInChI=1S/2H3N.H3O7PS/c;;1-8(2,3)7-9(4,5)6/h2*1H3;(H2,1,2,3)(H,4,5,6)
InChIKeyJUOKUSPNYWWXLS-UHFFFAOYSA-N
XLogP-0.78
TPSA191.13 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 5-0.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

azane;sulfo dihydrogen phosphate;zinc
CID 175237614
bis(sulfo dihydrogen phosphate);sulfuric acid
CID 173418337
calcium;trisodium;hydride;sulfo dihydrogen phosphate
CID 173350436
[hydroxy(sulfooxy)phosphoryl]phosphonic acid
CID 150163051
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
dihydroxyphosphinothioyl hydrogen sulfate
CID 174609403
diaminophosphoryl hydrogen sulfate
CID 174774826
azane;phosphoric acid;sulfuric acid
CID 173395945
[hydroxy(sulfooxy)phosphoryl] methanesulfonate
CID 150540601
sulfooxy dihydrogen phosphate
CID 20982148
nitro sulfo hydrogen phosphate
CID 154295491
hydroxy dihydrogen phosphate;sulfuric acid;zinc
CID 174227864

Frequently Asked Questions

What is the IUPAC name of azane;sulfo dihydrogen phosphate?
The IUPAC name of azane;sulfo dihydrogen phosphate (CID 173203542) is azane;sulfo dihydrogen phosphate.
What is the SMILES notation for azane;sulfo dihydrogen phosphate?
The canonical SMILES for azane;sulfo dihydrogen phosphate is N.N.O=P(O)(O)OS(=O)(=O)O.
What is the InChIKey of azane;sulfo dihydrogen phosphate?
The InChIKey is JUOKUSPNYWWXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3N.H3O7PS/c;;1-8(2,3)7-9(4,5)6/h2*1H3;(H2,1,2,3)(H,4,5,6).
What are the key properties of azane;sulfo dihydrogen phosphate?
azane;sulfo dihydrogen phosphate has a molecular weight of 212.12 g/mol, XLogP of -0.78, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfo dihydrogen phosphate is sourced from PubChem (CID 173203542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).