Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate

C₅H₁₅O₁₀P₃ — CID 159968116

About Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate

Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate (PubChem CID 159968116) has the molecular formula C₅H₁₅O₁₀P₃ and a molecular weight of 328.09 g/mol. Its IUPAC name is carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate.

Molecular Properties

• Compound Name: Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
• PubChem CID: 159968116
• Molecular Formula: C₅H₁₅O₁₀P₃
• Molecular Weight: 328.09 g/mol
• Exact Mass: 327.99
• IUPAC Name: carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
• SMILES: O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[CH3+].[CH3+].[CH3+].[CH3+].[CH3+]
• InChI: InChI=1S/5CH3.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h5*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5
• InChIKey: OEEUFNUJUHEXGR-UHFFFAOYSA-I
• XLogP: -1.60
• TPSA: 184.97 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.09
LogP ≤ 5	-1.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate?

The IUPAC name of Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate (CID 159968116) is carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate.

What is the SMILES notation for Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate?

The canonical SMILES for Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].[CH3+].[CH3+].[CH3+].[CH3+].[CH3+].

What is the InChIKey of Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate?

The InChIKey is OEEUFNUJUHEXGR-UHFFFAOYSA-I. The full InChI is InChI=1S/5CH3.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h5*1H3;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5.

What are the key properties of Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate?

Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate has a molecular weight of 328.09 g/mol, XLogP of -1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate is sourced from PubChem (CID 159968116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159968116 — identifiers, structure, computed properties (public domain)

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