trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate

Li3NdO13P4 — CID 173241012

IUPACtrilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Li+].[Li+].[Li+].[Nd+3]
InChIInChI=1S/3Li.Nd.H6O13P4/c;;;;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h;;;;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/q3*+1;+3;/p-6
InChIKeyCUBVJJIAEUUFRE-UHFFFAOYSA-H
MW496.95 g/mol
LogP-13.36
Rot. Bonds6

About trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate

trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate (PubChem CID 173241012) has the molecular formula Li3NdO13P4 and a molecular weight of 496.95 g/mol. Its IUPAC name is trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate.

Molecular Properties

Compound Nametrilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
PubChem CID173241012
Molecular FormulaLi3NdO13P4
Molecular Weight496.95 g/mol
Exact Mass494.78
IUPAC Nametrilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Li+].[Li+].[Li+].[Nd+3]
InChIInChI=1S/3Li.Nd.H6O13P4/c;;;;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h;;;;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/q3*+1;+3;/p-6
InChIKeyCUBVJJIAEUUFRE-UHFFFAOYSA-H
XLogP-13.36
TPSA234.33 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.95
LogP ≤ 5-13.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 174864856
heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
CID 160593354
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553
aluminum;lead(2+);[oxido(phosphonatooxy)phosphoryl] phosphate
CID 174925900
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 173412939
pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride
CID 173238390
pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11583874
pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11523702
tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 91516150
pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 160515534
fluoro-[oxido(phosphonatooxy)phosphoryl]oxyphosphinate
CID 23418477

Frequently Asked Questions

What is the IUPAC name of trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The IUPAC name of trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate (CID 173241012) is trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate.
What is the SMILES notation for trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The canonical SMILES for trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Li+].[Li+].[Li+].[Nd+3].
What is the InChIKey of trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The InChIKey is CUBVJJIAEUUFRE-UHFFFAOYSA-H. The full InChI is InChI=1S/3Li.Nd.H6O13P4/c;;;;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h;;;;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/q3*+1;+3;/p-6.
What are the key properties of trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate has a molecular weight of 496.95 g/mol, XLogP of -13.36, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate is sourced from PubChem (CID 173241012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).