[oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium)

C60H140N5O10P3 — CID 159674571

IUPAC[oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium)
SMILESCCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/5C12H27N.H5O10P3/c5*1-4-7-10-13(11-8-5-2)12-9-6-3;1-11(2,3)9-13(7,8)10-12(4,5)6/h5*4-12H2,1-3H3;(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyMUKWPASLDRXCFX-UHFFFAOYSA-N
MW1184.73 g/mol
LogP7.50
Rot. Bonds49

About [oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium)

[oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium) (PubChem CID 159674571) has the molecular formula C60H140N5O10P3 and a molecular weight of 1184.73 g/mol. Its IUPAC name is [oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium).

Molecular Properties

Compound Name[oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium)
PubChem CID159674571
Molecular FormulaC60H140N5O10P3
Molecular Weight1184.73 g/mol
Exact Mass1183.98
IUPAC Name[oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium)
SMILESCCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-]
InChIInChI=1S/5C12H27N.H5O10P3/c5*1-4-7-10-13(11-8-5-2)12-9-6-3;1-11(2,3)9-13(7,8)10-12(4,5)6/h5*4-12H2,1-3H3;(H,7,8)(H2,1,2,3)(H2,4,5,6)
InChIKeyMUKWPASLDRXCFX-UHFFFAOYSA-N
XLogP7.50
TPSA207.17 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds49
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001184.73
LogP ≤ 57.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

aluminum;lead(2+);[oxido(phosphonatooxy)phosphoryl] phosphate
CID 174925900
tetracalcium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 161067553
carbanylium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 159968116
tetraazanium;methylazanium;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 91516150
[chloro-fluoro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;bis(tributylazanium)
CID 134885520
pentapotassium;methane;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 173412939
pentapotassium;sodium;[oxido(phosphonatooxy)phosphoryl] phosphate;chloride
CID 173238390
tetrapotassium;disodium;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
CID 174864856
heptaaluminum;tris([oxido-[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate)
CID 160593354
dibutyl(octadecyl)azanium
CID 18405855
dibutyl(propyl)azanium;propane
CID 176561403
pentapotassium;hydrogen peroxide;[oxido(phosphonatooxy)phosphoryl] phosphate
CID 11583874

Frequently Asked Questions

What is the IUPAC name of [oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium)?
The IUPAC name of [oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium) (CID 159674571) is [oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium).
What is the SMILES notation for [oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium)?
The canonical SMILES for [oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium) is CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.CCCC[NH+](CCCC)CCCC.O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])[O-].
What is the InChIKey of [oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium)?
The InChIKey is MUKWPASLDRXCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/5C12H27N.H5O10P3/c5*1-4-7-10-13(11-8-5-2)12-9-6-3;1-11(2,3)9-13(7,8)10-12(4,5)6/h5*4-12H2,1-3H3;(H,7,8)(H2,1,2,3)(H2,4,5,6).
What are the key properties of [oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium)?
[oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium) has a molecular weight of 1184.73 g/mol, XLogP of 7.50, 49 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [oxido(phosphonatooxy)phosphoryl] phosphate;pentakis(tributylazanium) is sourced from PubChem (CID 159674571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).