azanium dibenzyl phosphate

C14H18NO4P — CID 18763575

IUPACazanium dibenzyl phosphate
SMILESO=P([O-])(OCc1ccccc1)OCc1ccccc1.[NH4+]
InChIInChI=1S/C14H15O4P.H3N/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,15,16);1H3
InChIKeyPNTCBYMYXZCKMK-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.26
Rot. Bonds6

About azanium dibenzyl phosphate

azanium dibenzyl phosphate (PubChem CID 18763575) has the molecular formula C14H18NO4P and a molecular weight of 295.28 g/mol. Its IUPAC name is azanium dibenzyl phosphate.

Molecular Properties

Compound Nameazanium dibenzyl phosphate
PubChem CID18763575
Molecular FormulaC14H18NO4P
Molecular Weight295.28 g/mol
Exact Mass295.10
IUPAC Nameazanium dibenzyl phosphate
SMILESO=P([O-])(OCc1ccccc1)OCc1ccccc1.[NH4+]
InChIInChI=1S/C14H15O4P.H3N/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,15,16);1H3
InChIKeyPNTCBYMYXZCKMK-UHFFFAOYSA-N
XLogP3.26
TPSA95.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azanium dibenzyl phosphate?
The IUPAC name of azanium dibenzyl phosphate (CID 18763575) is azanium dibenzyl phosphate.
What is the SMILES notation for azanium dibenzyl phosphate?
The canonical SMILES for azanium dibenzyl phosphate is O=P([O-])(OCc1ccccc1)OCc1ccccc1.[NH4+].
What is the InChIKey of azanium dibenzyl phosphate?
The InChIKey is PNTCBYMYXZCKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15O4P.H3N/c15-19(16,17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,15,16);1H3.
What are the key properties of azanium dibenzyl phosphate?
azanium dibenzyl phosphate has a molecular weight of 295.28 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium dibenzyl phosphate is sourced from PubChem (CID 18763575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).