dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium

C4H24O14P3Zr3+3 — CID 59117970

IUPACdihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium
SMILESCO.CO.CO[P+](O)(O)OC.O[P+](O)(O)O.O[P+](O)(O)O.[Zr].[Zr].[Zr]
InChIInChI=1S/C2H8O4P.2CH4O.2H4O4P.3Zr/c1-5-7(3,4)6-2;2*1-2;2*1-5(2,3)4;;;/h3-4H,1-2H3;2*2H,1H3;2*1-4H;;;/q+1;;;2*+1;;;
InChIKeyUBIIAJVROBFHHG-UHFFFAOYSA-N
MW662.82 g/mol
LogP-3.58
Rot. Bonds2

About dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium

dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium (PubChem CID 59117970) has the molecular formula C4H24O14P3Zr3+3 and a molecular weight of 662.82 g/mol. Its IUPAC name is dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium.

Molecular Properties

Compound Namedihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium
PubChem CID59117970
Molecular FormulaC4H24O14P3Zr3+3
Molecular Weight662.82 g/mol
Exact Mass658.75
IUPAC Namedihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium
SMILESCO.CO.CO[P+](O)(O)OC.O[P+](O)(O)O.O[P+](O)(O)O.[Zr].[Zr].[Zr]
InChIInChI=1S/C2H8O4P.2CH4O.2H4O4P.3Zr/c1-5-7(3,4)6-2;2*1-2;2*1-5(2,3)4;;;/h3-4H,1-2H3;2*2H,1H3;2*1-4H;;;/q+1;;;2*+1;;;
InChIKeyUBIIAJVROBFHHG-UHFFFAOYSA-N
XLogP-3.58
TPSA261.22 Ų
H-Bond Donors12
H-Bond Acceptors14
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500662.82
LogP ≤ 5-3.58
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium?
The IUPAC name of dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium (CID 59117970) is dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium.
What is the SMILES notation for dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium?
The canonical SMILES for dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium is CO.CO.CO[P+](O)(O)OC.O[P+](O)(O)O.O[P+](O)(O)O.[Zr].[Zr].[Zr].
What is the InChIKey of dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium?
The InChIKey is UBIIAJVROBFHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O4P.2CH4O.2H4O4P.3Zr/c1-5-7(3,4)6-2;2*1-2;2*1-5(2,3)4;;;/h3-4H,1-2H3;2*2H,1H3;2*1-4H;;;/q+1;;;2*+1;;;.
What are the key properties of dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium?
dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium has a molecular weight of 662.82 g/mol, XLogP of -3.58, 2 rotatable bonds, 12 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(dimethoxy)phosphanium;methanol;bis(tetrahydroxyphosphanium);zirconium is sourced from PubChem (CID 59117970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).