azane;hydron;titanium(4+);phosphate

H5NO4PTi+3 — CID 173494931

IUPACazane;hydron;titanium(4+);phosphate
SMILESN.O=P([O-])([O-])[O-].[H+].[H+].[Ti+4]
InChIInChI=1S/H3N.H3O4P.Ti/c;1-5(2,3)4;/h1H3;(H3,1,2,3,4);/q;;+4/p-1
InChIKeyAAHOXRONUPCIEZ-UHFFFAOYSA-M
MW161.88 g/mol
LogP-2.44
Rot. Bonds

About azane;hydron;titanium(4+);phosphate

azane;hydron;titanium(4+);phosphate (PubChem CID 173494931) has the molecular formula H5NO4PTi+3 and a molecular weight of 161.88 g/mol. Its IUPAC name is azane;hydron;titanium(4+);phosphate.

Molecular Properties

Compound Nameazane;hydron;titanium(4+);phosphate
PubChem CID173494931
Molecular FormulaH5NO4PTi+3
Molecular Weight161.88 g/mol
Exact Mass161.94
IUPAC Nameazane;hydron;titanium(4+);phosphate
SMILESN.O=P([O-])([O-])[O-].[H+].[H+].[Ti+4]
InChIInChI=1S/H3N.H3O4P.Ti/c;1-5(2,3)4;/h1H3;(H3,1,2,3,4);/q;;+4/p-1
InChIKeyAAHOXRONUPCIEZ-UHFFFAOYSA-M
XLogP-2.44
TPSA121.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.88
LogP ≤ 5-2.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;hydron;phosphate
CID 173322696
potassium;azane;hydron;phosphate
CID 173310600
hydron;phosphate
CID 19972274
azane;manganese(3+);phosphate
CID 174376080
tris(titanium(4+));tetraphosphate;dihydrate
CID 172694967
hydron;zirconium;phosphate
CID 173215944
tris(titanium(4+));tungsten;decaphosphate
CID 173472598
hydron;iron(3+);phosphate
CID 173036063
azane;cobalt(3+);phosphate
CID 3082159
zinc;hydron;diphosphate
CID 20841752
barium(2+);hydron;phosphate
CID 173013414
potassium;titanium(4+);phosphate;hydrofluoride
CID 175771555

Frequently Asked Questions

What is the IUPAC name of azane;hydron;titanium(4+);phosphate?
The IUPAC name of azane;hydron;titanium(4+);phosphate (CID 173494931) is azane;hydron;titanium(4+);phosphate.
What is the SMILES notation for azane;hydron;titanium(4+);phosphate?
The canonical SMILES for azane;hydron;titanium(4+);phosphate is N.O=P([O-])([O-])[O-].[H+].[H+].[Ti+4].
What is the InChIKey of azane;hydron;titanium(4+);phosphate?
The InChIKey is AAHOXRONUPCIEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/H3N.H3O4P.Ti/c;1-5(2,3)4;/h1H3;(H3,1,2,3,4);/q;;+4/p-1.
What are the key properties of azane;hydron;titanium(4+);phosphate?
azane;hydron;titanium(4+);phosphate has a molecular weight of 161.88 g/mol, XLogP of -2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydron;titanium(4+);phosphate is sourced from PubChem (CID 173494931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).