tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate

H16N4O56Pt12S12-36 — CID 139047237

IUPACtetraazanium;octakis(oxygen(2-));platinum;dodecasulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/4H3N.12H2O4S.8O.12Pt/c;;;;12*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;/h4*1H3;12*(H2,1,2,3,4);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;8*-2;;;;;;;;;;;;/p-20
InChIKeyXJFPUJVBZCQOLN-UHFFFAOYSA-A
MW3693.84 g/mol
LogP-15.53
Rot. Bonds

About tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate

tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate (PubChem CID 139047237) has the molecular formula H16N4O56Pt12S12-36 and a molecular weight of 3693.84 g/mol. Its IUPAC name is tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate.

Molecular Properties

Compound Nametetraazanium;octakis(oxygen(2-));platinum;dodecasulfate
PubChem CID139047237
Molecular FormulaH16N4O56Pt12S12-36
Molecular Weight3693.84 g/mol
Exact Mass3691.11
IUPAC Nametetraazanium;octakis(oxygen(2-));platinum;dodecasulfate
SMILESO=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/4H3N.12H2O4S.8O.12Pt/c;;;;12*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;/h4*1H3;12*(H2,1,2,3,4);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;8*-2;;;;;;;;;;;;/p-20
InChIKeyXJFPUJVBZCQOLN-UHFFFAOYSA-A
XLogP-15.53
TPSA1337.12 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003693.84
LogP ≤ 5-15.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

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Related Compounds

azanium;iron(3+);oxygen(2-);sulfate
CID 160689696
azanium sulfate
CID 21225610
octaazanium;tetrasulfate
CID 86742620
azanium;lithium;sulfate
CID 139045804
diazanium;nickel;trisulfate
CID 23623901
diazanium;iron(3+);sulfate
CID 154825065
bis(oxygen(2-));bis(titanium(4+));sulfate
CID 160596122
azanium;cesium;sulfate
CID 19710911
bis(oxygen(2-));tris(titanium(4+));tetrasulfate
CID 173292804
tetraazanium;bis(copper(1+));trisulfate
CID 173461918
azanium;scandium(3+);sulfate
CID 19900049
bis(chromium(3+));tris(oxygen(2-));sulfate
CID 131710712

Frequently Asked Questions

What is the IUPAC name of tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate?
The IUPAC name of tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate (CID 139047237) is tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate.
What is the SMILES notation for tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate?
The canonical SMILES for tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate is O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[NH4+].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate?
The InChIKey is XJFPUJVBZCQOLN-UHFFFAOYSA-A. The full InChI is InChI=1S/4H3N.12H2O4S.8O.12Pt/c;;;;12*1-5(2,3)4;;;;;;;;;;;;;;;;;;;;/h4*1H3;12*(H2,1,2,3,4);;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;8*-2;;;;;;;;;;;;/p-20.
What are the key properties of tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate?
tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate has a molecular weight of 3693.84 g/mol, XLogP of -15.53, 0 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for tetraazanium;octakis(oxygen(2-));platinum;dodecasulfate is sourced from PubChem (CID 139047237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).