carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))

C2H6O9P3Zr2+3 — CID 174768378

IUPACcarbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))
SMILESO=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].[CH3-].[CH3-].[Zr+4].[Zr+4]
InChIInChI=1S/2CH3.3HO3P.2Zr/c;;3*1-4(2)3;;/h2*1H3;3*(H,1,2,3);;/q2*-1;;;;2*+4/p-3
InChIKeyCJYGGIAZZAGDQP-UHFFFAOYSA-K
MW449.43 g/mol
LogP-4.01
Rot. Bonds

About carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))

carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+)) (PubChem CID 174768378) has the molecular formula C2H6O9P3Zr2+3 and a molecular weight of 449.43 g/mol. Its IUPAC name is carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+)).

Molecular Properties

Compound Namecarbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))
PubChem CID174768378
Molecular FormulaC2H6O9P3Zr2+3
Molecular Weight449.43 g/mol
Exact Mass446.73
IUPAC Namecarbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))
SMILESO=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].[CH3-].[CH3-].[Zr+4].[Zr+4]
InChIInChI=1S/2CH3.3HO3P.2Zr/c;;3*1-4(2)3;;/h2*1H3;3*(H,1,2,3);;/q2*-1;;;;2*+4/p-3
InChIKeyCJYGGIAZZAGDQP-UHFFFAOYSA-K
XLogP-4.01
TPSA189.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 5-4.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

pentakis(dioxido(oxo)phosphanium);bis(niobium(5+))
CID 158087475
CID 19762996
CID 19762996
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CID 15829259
dimagnesium bis(dioxido(oxo)phosphanium)
CID 157296666
bis(dioxido(oxo)phosphanium);bis(tin(2+) dihydride)
CID 173093739
bis(antimony(3+));tris(dioxido(oxo)phosphanium)
CID 157498599
dioxido(oxo)phosphanium;ethene
CID 19438484
dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)
CID 138394183
tripotassium;cerium(3+);bis(dioxido(oxo)phosphanium)
CID 53249695
calcium;bis(dioxido(oxo)phosphanium);hydron
CID 158864827
lithium;dioxido(oxo)phosphanium;iron(2+)
CID 161433498
aluminum;sodium;tetrakis(dioxido(oxo)phosphanium)
CID 173111312

Frequently Asked Questions

What is the IUPAC name of carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))?
The IUPAC name of carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+)) (CID 174768378) is carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+)).
What is the SMILES notation for carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))?
The canonical SMILES for carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+)) is O=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].[CH3-].[CH3-].[Zr+4].[Zr+4].
What is the InChIKey of carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))?
The InChIKey is CJYGGIAZZAGDQP-UHFFFAOYSA-K. The full InChI is InChI=1S/2CH3.3HO3P.2Zr/c;;3*1-4(2)3;;/h2*1H3;3*(H,1,2,3);;/q2*-1;;;;2*+4/p-3.
What are the key properties of carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))?
carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+)) has a molecular weight of 449.43 g/mol, XLogP of -4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+)) is sourced from PubChem (CID 174768378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).