oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate

C6H5O7P2Zr+ — CID 90015244

IUPACoxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate
SMILESO=P([O-])([O-])[O-].O=[P+]([O-])Oc1ccccc1.[Zr+4]
InChIInChI=1S/C6H5O3P.H3O4P.Zr/c7-10(8)9-6-4-2-1-3-5-6;1-5(2,3)4;/h1-5H;(H3,1,2,3,4);/q;;+4/p-3
InChIKeyIANNLGKVBODEGU-UHFFFAOYSA-K
MW342.27 g/mol
LogP-1.74
Rot. Bonds2

About oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate

oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate (PubChem CID 90015244) has the molecular formula C6H5O7P2Zr+ and a molecular weight of 342.27 g/mol. Its IUPAC name is oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate.

Molecular Properties

Compound Nameoxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate
PubChem CID90015244
Molecular FormulaC6H5O7P2Zr+
Molecular Weight342.27 g/mol
Exact Mass340.86
IUPAC Nameoxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate
SMILESO=P([O-])([O-])[O-].O=[P+]([O-])Oc1ccccc1.[Zr+4]
InChIInChI=1S/C6H5O3P.H3O4P.Zr/c7-10(8)9-6-4-2-1-3-5-6;1-5(2,3)4;/h1-5H;(H3,1,2,3,4);/q;;+4/p-3
InChIKeyIANNLGKVBODEGU-UHFFFAOYSA-K
XLogP-1.74
TPSA135.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 5-1.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

copper(1+);oxido-oxo-phenoxyphosphanium
CID 166721703
disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate
CID 71431251
tripotassium;phenoxybenzene;phosphate
CID 160692134
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
copper;oxo(diphenoxy)phosphanium
CID 158842365
chloro(phenoxy)phosphinate
CID 71354399
sodium oxido-oxo-pyridin-3-yloxyphosphanium
CID 141390427
oxo-phenoxy-phosphanylphosphanium
CID 154139481
methylidene-oxido-phenoxyphosphanium
CID 175091171
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
oxo-phenoxy-phosphonooxyphosphanium;zirconium
CID 90015245

Frequently Asked Questions

What is the IUPAC name of oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate?
The IUPAC name of oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate (CID 90015244) is oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate.
What is the SMILES notation for oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate?
The canonical SMILES for oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate is O=P([O-])([O-])[O-].O=[P+]([O-])Oc1ccccc1.[Zr+4].
What is the InChIKey of oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate?
The InChIKey is IANNLGKVBODEGU-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H5O3P.H3O4P.Zr/c7-10(8)9-6-4-2-1-3-5-6;1-5(2,3)4;/h1-5H;(H3,1,2,3,4);/q;;+4/p-3.
What are the key properties of oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate?
oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate has a molecular weight of 342.27 g/mol, XLogP of -1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-oxo-phenoxyphosphanium;zirconium(4+);phosphate is sourced from PubChem (CID 90015244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).