chloro hypochlorite;tris(zirconium(4+));tetraphosphate

Cl2O17P4Zr3 — CID 163896602

IUPACchloro hypochlorite;tris(zirconium(4+));tetraphosphate
SMILESClOCl.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/Cl2O.4H3O4P.3Zr/c1-3-2;4*1-5(2,3)4;;;/h;4*(H3,1,2,3,4);;;/q;;;;;3*+4/p-12
InChIKeyQGEPAYHOJBDUEB-UHFFFAOYSA-B
MW740.46 g/mol
LogP-10.00
Rot. Bonds

About chloro hypochlorite;tris(zirconium(4+));tetraphosphate

chloro hypochlorite;tris(zirconium(4+));tetraphosphate (PubChem CID 163896602) has the molecular formula Cl2O17P4Zr3 and a molecular weight of 740.46 g/mol. Its IUPAC name is chloro hypochlorite;tris(zirconium(4+));tetraphosphate.

Molecular Properties

Compound Namechloro hypochlorite;tris(zirconium(4+));tetraphosphate
PubChem CID163896602
Molecular FormulaCl2O17P4Zr3
Molecular Weight740.46 g/mol
Exact Mass735.46
IUPAC Namechloro hypochlorite;tris(zirconium(4+));tetraphosphate
SMILESClOCl.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Zr+4].[Zr+4].[Zr+4]
InChIInChI=1S/Cl2O.4H3O4P.3Zr/c1-3-2;4*1-5(2,3)4;;;/h;4*(H3,1,2,3,4);;;/q;;;;;3*+4/p-12
InChIKeyQGEPAYHOJBDUEB-UHFFFAOYSA-B
XLogP-10.00
TPSA354.23 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.46
LogP ≤ 5-10.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

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Related Compounds

pentakis(gadolinium(3+));pentaphosphate
CID 173142296
zirconium(4+) phosphate
CID 21124562
bis(gadolinium(3+)) diphosphate
CID 172754975
tricalcium;zirconium(4+);phosphate
CID 172787637
calcium;gadolinium(3+);hydride;phosphate
CID 175195736
lithium;iron(2+);zirconium(4+);phosphate
CID 175737318
cerium(3+);zirconium(4+);phosphate;hydrofluoride
CID 157050439
vanadium;zirconium(4+);triphosphate;hydrofluoride
CID 159179895
disodium;barium(2+);bis(zirconium(4+));tetraphosphate
CID 173296087
trialuminum;triphosphate
CID 23371115
CID 23618823
CID 23618823
methane phosphate
CID 22352647

Frequently Asked Questions

What is the IUPAC name of chloro hypochlorite;tris(zirconium(4+));tetraphosphate?
The IUPAC name of chloro hypochlorite;tris(zirconium(4+));tetraphosphate (CID 163896602) is chloro hypochlorite;tris(zirconium(4+));tetraphosphate.
What is the SMILES notation for chloro hypochlorite;tris(zirconium(4+));tetraphosphate?
The canonical SMILES for chloro hypochlorite;tris(zirconium(4+));tetraphosphate is ClOCl.O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Zr+4].[Zr+4].[Zr+4].
What is the InChIKey of chloro hypochlorite;tris(zirconium(4+));tetraphosphate?
The InChIKey is QGEPAYHOJBDUEB-UHFFFAOYSA-B. The full InChI is InChI=1S/Cl2O.4H3O4P.3Zr/c1-3-2;4*1-5(2,3)4;;;/h;4*(H3,1,2,3,4);;;/q;;;;;3*+4/p-12.
What are the key properties of chloro hypochlorite;tris(zirconium(4+));tetraphosphate?
chloro hypochlorite;tris(zirconium(4+));tetraphosphate has a molecular weight of 740.46 g/mol, XLogP of -10.00, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for chloro hypochlorite;tris(zirconium(4+));tetraphosphate is sourced from PubChem (CID 163896602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).