octaazanium;tetrasulfate

H32N8O16S4 — CID 86742620

IUPACoctaazanium;tetrasulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/8H3N.4H2O4S/c;;;;;;;;4*1-5(2,3)4/h8*1H3;4*(H2,1,2,3,4)
InChIKeyOGOYNBQZXKNRRW-UHFFFAOYSA-N
MW528.56 g/mol
LogP-2.34
Rot. Bonds

About octaazanium;tetrasulfate

octaazanium;tetrasulfate (PubChem CID 86742620) has the molecular formula H32N8O16S4 and a molecular weight of 528.56 g/mol. Its IUPAC name is octaazanium;tetrasulfate.

Molecular Properties

Compound Nameoctaazanium;tetrasulfate
PubChem CID86742620
Molecular FormulaH32N8O16S4
Molecular Weight528.56 g/mol
Exact Mass528.08
IUPAC Nameoctaazanium;tetrasulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]
InChIInChI=1S/8H3N.4H2O4S/c;;;;;;;;4*1-5(2,3)4/h8*1H3;4*(H2,1,2,3,4)
InChIKeyOGOYNBQZXKNRRW-UHFFFAOYSA-N
XLogP-2.34
TPSA613.04 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500528.56
LogP ≤ 5-2.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octaazanium;tetrasulfate?
The IUPAC name of octaazanium;tetrasulfate (CID 86742620) is octaazanium;tetrasulfate.
What is the SMILES notation for octaazanium;tetrasulfate?
The canonical SMILES for octaazanium;tetrasulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].[NH4+].
What is the InChIKey of octaazanium;tetrasulfate?
The InChIKey is OGOYNBQZXKNRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/8H3N.4H2O4S/c;;;;;;;;4*1-5(2,3)4/h8*1H3;4*(H2,1,2,3,4).
What are the key properties of octaazanium;tetrasulfate?
octaazanium;tetrasulfate has a molecular weight of 528.56 g/mol, XLogP of -2.34, 0 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for octaazanium;tetrasulfate is sourced from PubChem (CID 86742620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).