diazanium;phosphoric acid;sulfite

H11N2O7PS — CID 158390689

IUPACdiazanium;phosphoric acid;sulfite
SMILESO=P(O)(O)O.O=S([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/2H3N.H3O4P.H2O3S/c;;1-5(2,3)4;1-4(2)3/h2*1H3;(H3,1,2,3,4);(H2,1,2,3)
InChIKeyGWXSBTDDQJJXRF-UHFFFAOYSA-N
MW214.14 g/mol
LogP-1.18
Rot. Bonds

About diazanium;phosphoric acid;sulfite

diazanium;phosphoric acid;sulfite (PubChem CID 158390689) has the molecular formula H11N2O7PS and a molecular weight of 214.14 g/mol. Its IUPAC name is diazanium;phosphoric acid;sulfite.

Molecular Properties

Compound Namediazanium;phosphoric acid;sulfite
PubChem CID158390689
Molecular FormulaH11N2O7PS
Molecular Weight214.14 g/mol
Exact Mass214.00
IUPAC Namediazanium;phosphoric acid;sulfite
SMILESO=P(O)(O)O.O=S([O-])[O-].[NH4+].[NH4+]
InChIInChI=1S/2H3N.H3O4P.H2O3S/c;;1-5(2,3)4;1-4(2)3/h2*1H3;(H3,1,2,3,4);(H2,1,2,3)
InChIKeyGWXSBTDDQJJXRF-UHFFFAOYSA-N
XLogP-1.18
TPSA213.95 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 5-1.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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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CID 160752930
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oxoalumane;phosphoric acid
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CID 173395602
diazanium;potassium;phosphoric acid;phosphate
CID 172814489
hydron;platinum(2+);hydroxide;disulfite
CID 156589100
alumane;phosphoric acid
CID 173406921
tetralithium;phosphoric acid
CID 175822939
alumane;phosphoric acid
CID 173069752
methane;phosphoric acid
CID 18515646
phosphane;phosphoric acid
CID 172840180
phosphoric acid;hydrate
CID 22023151

Frequently Asked Questions

What is the IUPAC name of diazanium;phosphoric acid;sulfite?
The IUPAC name of diazanium;phosphoric acid;sulfite (CID 158390689) is diazanium;phosphoric acid;sulfite.
What is the SMILES notation for diazanium;phosphoric acid;sulfite?
The canonical SMILES for diazanium;phosphoric acid;sulfite is O=P(O)(O)O.O=S([O-])[O-].[NH4+].[NH4+].
What is the InChIKey of diazanium;phosphoric acid;sulfite?
The InChIKey is GWXSBTDDQJJXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/2H3N.H3O4P.H2O3S/c;;1-5(2,3)4;1-4(2)3/h2*1H3;(H3,1,2,3,4);(H2,1,2,3).
What are the key properties of diazanium;phosphoric acid;sulfite?
diazanium;phosphoric acid;sulfite has a molecular weight of 214.14 g/mol, XLogP of -1.18, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;phosphoric acid;sulfite is sourced from PubChem (CID 158390689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).