diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate

C18H30N2O6P2 — CID 21415815

IUPACdiazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate
SMILESO=P([O-])(OCCCCCCOP(=O)([O-])c1ccccc1)c1ccccc1.[NH4+].[NH4+]
InChIInChI=1S/C18H24O6P2.2H3N/c19-25(20,17-11-5-3-6-12-17)23-15-9-1-2-10-16-24-26(21,22)18-13-7-4-8-14-18;;/h3-8,11-14H,1-2,9-10,15-16H2,(H,19,20)(H,21,22);2*1H3
InChIKeyZFPGDJUBQBGCEN-UHFFFAOYSA-N
MW432.39 g/mol
LogP3.09
Rot. Bonds11

About diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate

diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate (PubChem CID 21415815) has the molecular formula C18H30N2O6P2 and a molecular weight of 432.39 g/mol. Its IUPAC name is diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate.

Molecular Properties

Compound Namediazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate
PubChem CID21415815
Molecular FormulaC18H30N2O6P2
Molecular Weight432.39 g/mol
Exact Mass432.16
IUPAC Namediazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate
SMILESO=P([O-])(OCCCCCCOP(=O)([O-])c1ccccc1)c1ccccc1.[NH4+].[NH4+]
InChIInChI=1S/C18H24O6P2.2H3N/c19-25(20,17-11-5-3-6-12-17)23-15-9-1-2-10-16-24-26(21,22)18-13-7-4-8-14-18;;/h3-8,11-14H,1-2,9-10,15-16H2,(H,19,20)(H,21,22);2*1H3
InChIKeyZFPGDJUBQBGCEN-UHFFFAOYSA-N
XLogP3.09
TPSA171.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

neodymium(3+);tris([(Z)-octadec-9-enoxy]-phenylphosphinate)
CID 175578267
di(tridecoxy)phosphorylbenzene
CID 87531060
[decoxy(phenyl)phosphoryl]benzene
CID 135066173
6-diphenylphosphinothioyloxyhexoxy-diphenyl-sulfanylidene-λ5-phosphane
CID 134935640
3-[3-hydroxypropoxy(phenyl)phosphoryl]oxypropan-1-ol
CID 134483895
potassium methoxy(phenyl)phosphinate
CID 141246459
[2-methylpropoxy(tridecoxy)phosphoryl]benzene
CID 91723456
sodium phenoxy(phenyl)phosphinate
CID 161254659
dipropoxyphosphorylbenzene
CID 11736632
[6-methoxyhexyl(phenyl)phosphoryl]benzene
CID 141463056
12-phenyldodecyl dihydrogen phosphate
CID 70388670
[butoxy(fluoro)phosphoryl]benzene
CID 23235617

Frequently Asked Questions

What is the IUPAC name of diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate?
The IUPAC name of diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate (CID 21415815) is diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate.
What is the SMILES notation for diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate?
The canonical SMILES for diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate is O=P([O-])(OCCCCCCOP(=O)([O-])c1ccccc1)c1ccccc1.[NH4+].[NH4+].
What is the InChIKey of diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate?
The InChIKey is ZFPGDJUBQBGCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6P2.2H3N/c19-25(20,17-11-5-3-6-12-17)23-15-9-1-2-10-16-24-26(21,22)18-13-7-4-8-14-18;;/h3-8,11-14H,1-2,9-10,15-16H2,(H,19,20)(H,21,22);2*1H3.
What are the key properties of diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate?
diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate has a molecular weight of 432.39 g/mol, XLogP of 3.09, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazanium;6-[oxido(phenyl)phosphoryl]oxyhexoxy-phenylphosphinate is sourced from PubChem (CID 21415815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).