trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate

H3Li3O13P4 — CID 172680393

IUPACtrilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)(O)OP(=O)(O)O.[Li+].[Li+].[Li+]
InChIInChI=1S/3Li.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;/p-3
InChIKeyAHWPVGLDCLLHAL-UHFFFAOYSA-K
MW355.73 g/mol
LogP-11.46
Rot. Bonds6

About trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate

trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate (PubChem CID 172680393) has the molecular formula H3Li3O13P4 and a molecular weight of 355.73 g/mol. Its IUPAC name is trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate.

Molecular Properties

Compound Nametrilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate
PubChem CID172680393
Molecular FormulaH3Li3O13P4
Molecular Weight355.73 g/mol
Exact Mass355.90
IUPAC Nametrilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)(O)OP(=O)(O)O.[Li+].[Li+].[Li+]
InChIInChI=1S/3Li.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;/p-3
InChIKeyAHWPVGLDCLLHAL-UHFFFAOYSA-K
XLogP-11.46
TPSA225.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.73
LogP ≤ 5-11.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 160515534
phosphono phosphate
CID 57345951
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
manganese(2+);phosphono phosphate
CID 138395841
pentaazanium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11523702
trilithium;neodymium(3+);[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 173241012
pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11583874
disodium;phosphono dihydrogen phosphate;phosphono phosphate
CID 173430814
potassium;sodium;[hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate;hydroxide
CID 172800352
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
CID 170843855
CID 170843855

Frequently Asked Questions

What is the IUPAC name of trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate?
The IUPAC name of trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate (CID 172680393) is trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate.
What is the SMILES notation for trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate?
The canonical SMILES for trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])OP(=O)(O)OP(=O)(O)O.[Li+].[Li+].[Li+].
What is the InChIKey of trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate?
The InChIKey is AHWPVGLDCLLHAL-UHFFFAOYSA-K. The full InChI is InChI=1S/3Li.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;/p-3.
What are the key properties of trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate?
trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate has a molecular weight of 355.73 g/mol, XLogP of -11.46, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for trilithium;[[hydroxy(phosphonooxy)phosphoryl]oxy-oxidophosphoryl] phosphate is sourced from PubChem (CID 172680393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).