oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium

C3H6O5P2+2 — CID 154445325

IUPACoxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium
SMILESO=[PH+]OCC(=O)CO[PH+]=O
InChIInChI=1S/C3H6O5P2/c4-3(1-7-9-5)2-8-10-6/h9-10H,1-2H2/q+2
InChIKeyLLZGYHANXUASBB-UHFFFAOYSA-N
MW184.02 g/mol
LogP0.47
Rot. Bonds6

About oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium

oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium (PubChem CID 154445325) has the molecular formula C3H6O5P2+2 and a molecular weight of 184.02 g/mol. Its IUPAC name is oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium.

Molecular Properties

Compound Nameoxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium
PubChem CID154445325
Molecular FormulaC3H6O5P2+2
Molecular Weight184.02 g/mol
Exact Mass183.97
IUPAC Nameoxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium
SMILESO=[PH+]OCC(=O)CO[PH+]=O
InChIInChI=1S/C3H6O5P2/c4-3(1-7-9-5)2-8-10-6/h9-10H,1-2H2/q+2
InChIKeyLLZGYHANXUASBB-UHFFFAOYSA-N
XLogP0.47
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.02
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium?
The IUPAC name of oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium (CID 154445325) is oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium.
What is the SMILES notation for oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium?
The canonical SMILES for oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium is O=[PH+]OCC(=O)CO[PH+]=O.
What is the InChIKey of oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium?
The InChIKey is LLZGYHANXUASBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O5P2/c4-3(1-7-9-5)2-8-10-6/h9-10H,1-2H2/q+2.
What are the key properties of oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium?
oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium has a molecular weight of 184.02 g/mol, XLogP of 0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(2-oxo-3-oxophosphaniumyloxypropoxy)phosphanium is sourced from PubChem (CID 154445325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).