hydroxylamine;tris(zirconium(4+));tetraphosphate

H3NO17P4Zr3 — CID 174979397

IUPAChydroxylamine;tris(zirconium(4+));tetraphosphate
SMILESNO.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/H3NO.4H3O4P.3Zr/c1-2;4*1-5(2,3)4;;;/h2H,1H2;4*(H3,1,2,3,4);;;/q;;;;;3*+4/p-12
InChIKeySPLXENMRWSFDJU-UHFFFAOYSA-B
MW686.58 g/mol
LogP-11.97
Rot. Bonds

About hydroxylamine;tris(zirconium(4+));tetraphosphate

hydroxylamine;tris(zirconium(4+));tetraphosphate (PubChem CID 174979397) has the molecular formula H3NO17P4Zr3 and a molecular weight of 686.58 g/mol. Its IUPAC name is hydroxylamine;tris(zirconium(4+));tetraphosphate.

Molecular Properties

Compound Namehydroxylamine;tris(zirconium(4+));tetraphosphate
PubChem CID174979397
Molecular FormulaH3NO17P4Zr3
Molecular Weight686.58 g/mol
Exact Mass682.55
IUPAC Namehydroxylamine;tris(zirconium(4+));tetraphosphate
SMILESNO.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/H3NO.4H3O4P.3Zr/c1-2;4*1-5(2,3)4;;;/h2H,1H2;4*(H3,1,2,3,4);;;/q;;;;;3*+4/p-12
InChIKeySPLXENMRWSFDJU-UHFFFAOYSA-B
XLogP-11.97
TPSA391.25 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.58
LogP ≤ 5-11.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

zirconium(4+) phosphate
CID 21124562
tricalcium;zirconium(4+);phosphate
CID 172787637
trisodium;hydrogen peroxide;phosphate
CID 161125728
lithium;iron(2+);zirconium(4+);phosphate
CID 175737318
tetrakis(dihydrogen phosphate);zirconium(4+)
CID 22328152
cerium(3+);zirconium(4+);phosphate;hydrofluoride
CID 157050439
vanadium;zirconium(4+);triphosphate;hydrofluoride
CID 159179895
disodium;barium(2+);bis(zirconium(4+));tetraphosphate
CID 173296087
CID 23618823
CID 23618823
methane phosphate
CID 22352647
sodium phosphate
CID 21225609
CID 23618830
CID 23618830

Frequently Asked Questions

What is the IUPAC name of hydroxylamine;tris(zirconium(4+));tetraphosphate?
The IUPAC name of hydroxylamine;tris(zirconium(4+));tetraphosphate (CID 174979397) is hydroxylamine;tris(zirconium(4+));tetraphosphate.
What is the SMILES notation for hydroxylamine;tris(zirconium(4+));tetraphosphate?
The canonical SMILES for hydroxylamine;tris(zirconium(4+));tetraphosphate is NO.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 hydroxylamine;tris(zirconium(4+));tetraphosphate?
The InChIKey is SPLXENMRWSFDJU-UHFFFAOYSA-B. The full InChI is InChI=1S/H3NO.4H3O4P.3Zr/c1-2;4*1-5(2,3)4;;;/h2H,1H2;4*(H3,1,2,3,4);;;/q;;;;;3*+4/p-12.
What are the key properties of hydroxylamine;tris(zirconium(4+));tetraphosphate?
hydroxylamine;tris(zirconium(4+));tetraphosphate has a molecular weight of 686.58 g/mol, XLogP of -11.97, 0 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxylamine;tris(zirconium(4+));tetraphosphate is sourced from PubChem (CID 174979397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).