oxidooxysulfonyl sulfate;bis(tetramethylphosphanium)

C8H24O8P2S2 — CID 87388921

IUPACoxidooxysulfonyl sulfate;bis(tetramethylphosphanium)
SMILESC[P+](C)(C)C.C[P+](C)(C)C.O=S(=O)([O-])OS(=O)(=O)O[O-]
InChIInChI=1S/2C4H12P.H2O8S2/c2*1-5(2,3)4;1-7-10(5,6)8-9(2,3)4/h2*1-4H3;1H,(H,2,3,4)/q2*+1;/p-2
InChIKeyRKBAQGDVUPTKJH-UHFFFAOYSA-L
MW374.35 g/mol
LogP0.05
Rot. Bonds3

About oxidooxysulfonyl sulfate;bis(tetramethylphosphanium)

oxidooxysulfonyl sulfate;bis(tetramethylphosphanium) (PubChem CID 87388921) has the molecular formula C8H24O8P2S2 and a molecular weight of 374.35 g/mol. Its IUPAC name is oxidooxysulfonyl sulfate;bis(tetramethylphosphanium).

Molecular Properties

Compound Nameoxidooxysulfonyl sulfate;bis(tetramethylphosphanium)
PubChem CID87388921
Molecular FormulaC8H24O8P2S2
Molecular Weight374.35 g/mol
Exact Mass374.04
IUPAC Nameoxidooxysulfonyl sulfate;bis(tetramethylphosphanium)
SMILESC[P+](C)(C)C.C[P+](C)(C)C.O=S(=O)([O-])OS(=O)(=O)O[O-]
InChIInChI=1S/2C4H12P.H2O8S2/c2*1-5(2,3)4;1-7-10(5,6)8-9(2,3)4/h2*1-4H3;1H,(H,2,3,4)/q2*+1;/p-2
InChIKeyRKBAQGDVUPTKJH-UHFFFAOYSA-L
XLogP0.05
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

Analyze oxidooxysulfonyl sulfate;bis(tetramethylphosphanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxidooxysulfonyl sulfate;bis(tetramethylphosphanium)?
The IUPAC name of oxidooxysulfonyl sulfate;bis(tetramethylphosphanium) (CID 87388921) is oxidooxysulfonyl sulfate;bis(tetramethylphosphanium).
What is the SMILES notation for oxidooxysulfonyl sulfate;bis(tetramethylphosphanium)?
The canonical SMILES for oxidooxysulfonyl sulfate;bis(tetramethylphosphanium) is C[P+](C)(C)C.C[P+](C)(C)C.O=S(=O)([O-])OS(=O)(=O)O[O-].
What is the InChIKey of oxidooxysulfonyl sulfate;bis(tetramethylphosphanium)?
The InChIKey is RKBAQGDVUPTKJH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C4H12P.H2O8S2/c2*1-5(2,3)4;1-7-10(5,6)8-9(2,3)4/h2*1-4H3;1H,(H,2,3,4)/q2*+1;/p-2.
What are the key properties of oxidooxysulfonyl sulfate;bis(tetramethylphosphanium)?
oxidooxysulfonyl sulfate;bis(tetramethylphosphanium) has a molecular weight of 374.35 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for oxidooxysulfonyl sulfate;bis(tetramethylphosphanium) is sourced from PubChem (CID 87388921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).