azane;sulfuric acid;hexahydrate

H19NO14S2 — CID 173404062

IUPACazane;sulfuric acid;hexahydrate
SMILESN.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/H3N.2H2O4S.6H2O/c;2*1-5(2,3)4;;;;;;/h1H3;2*(H2,1,2,3,4);6*1H2
InChIKeyZYQJTCFYRIVBAF-UHFFFAOYSA-N
MW321.28 g/mol
LogP-6.09
Rot. Bonds

About azane;sulfuric acid;hexahydrate

azane;sulfuric acid;hexahydrate (PubChem CID 173404062) has the molecular formula H19NO14S2 and a molecular weight of 321.28 g/mol. Its IUPAC name is azane;sulfuric acid;hexahydrate.

Molecular Properties

Compound Nameazane;sulfuric acid;hexahydrate
PubChem CID173404062
Molecular FormulaH19NO14S2
Molecular Weight321.28 g/mol
Exact Mass321.02
IUPAC Nameazane;sulfuric acid;hexahydrate
SMILESN.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O
InChIInChI=1S/H3N.2H2O4S.6H2O/c;2*1-5(2,3)4;;;;;;/h1H3;2*(H2,1,2,3,4);6*1H2
InChIKeyZYQJTCFYRIVBAF-UHFFFAOYSA-N
XLogP-6.09
TPSA373.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 5-6.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;sulfuric acid;hexahydrate?
The IUPAC name of azane;sulfuric acid;hexahydrate (CID 173404062) is azane;sulfuric acid;hexahydrate.
What is the SMILES notation for azane;sulfuric acid;hexahydrate?
The canonical SMILES for azane;sulfuric acid;hexahydrate is N.O.O.O.O.O.O.O=S(=O)(O)O.O=S(=O)(O)O.
What is the InChIKey of azane;sulfuric acid;hexahydrate?
The InChIKey is ZYQJTCFYRIVBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/H3N.2H2O4S.6H2O/c;2*1-5(2,3)4;;;;;;/h1H3;2*(H2,1,2,3,4);6*1H2.
What are the key properties of azane;sulfuric acid;hexahydrate?
azane;sulfuric acid;hexahydrate has a molecular weight of 321.28 g/mol, XLogP of -6.09, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;sulfuric acid;hexahydrate is sourced from PubChem (CID 173404062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).