tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate

C24H24N4O16P2-10 — CID 20978317

IUPACtetrakis(N-oxido-N-phenylhydroxylamine) diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[O-]N(O)c1ccccc1.[O-]N(O)c1ccccc1.[O-]N(O)c1ccccc1.[O-]N(O)c1ccccc1
InChIInChI=1S/4C6H6NO2.2H3O4P/c4*8-7(9)6-4-2-1-3-5-6;2*1-5(2,3)4/h4*1-5,8H;2*(H3,1,2,3,4)/q4*-1;;/p-6
InChIKeyFSJGJQHQRCPQAD-UHFFFAOYSA-H
MW686.42 g/mol
LogP-0.13
Rot. Bonds4

About tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate

tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate (PubChem CID 20978317) has the molecular formula C24H24N4O16P2-10 and a molecular weight of 686.42 g/mol. Its IUPAC name is tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate.

Molecular Properties

Compound Nametetrakis(N-oxido-N-phenylhydroxylamine) diphosphate
PubChem CID20978317
Molecular FormulaC24H24N4O16P2-10
Molecular Weight686.42 g/mol
Exact Mass686.07
IUPAC Nametetrakis(N-oxido-N-phenylhydroxylamine) diphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[O-]N(O)c1ccccc1.[O-]N(O)c1ccccc1.[O-]N(O)c1ccccc1.[O-]N(O)c1ccccc1
InChIInChI=1S/4C6H6NO2.2H3O4P/c4*8-7(9)6-4-2-1-3-5-6;2*1-5(2,3)4/h4*1-5,8H;2*(H3,1,2,3,4)/q4*-1;;/p-6
InChIKeyFSJGJQHQRCPQAD-UHFFFAOYSA-H
XLogP-0.13
TPSA358.62 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate?
The IUPAC name of tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate (CID 20978317) is tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate.
What is the SMILES notation for tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate?
The canonical SMILES for tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[O-]N(O)c1ccccc1.[O-]N(O)c1ccccc1.[O-]N(O)c1ccccc1.[O-]N(O)c1ccccc1.
What is the InChIKey of tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate?
The InChIKey is FSJGJQHQRCPQAD-UHFFFAOYSA-H. The full InChI is InChI=1S/4C6H6NO2.2H3O4P/c4*8-7(9)6-4-2-1-3-5-6;2*1-5(2,3)4/h4*1-5,8H;2*(H3,1,2,3,4)/q4*-1;;/p-6.
What are the key properties of tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate?
tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate has a molecular weight of 686.42 g/mol, XLogP of -0.13, 4 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N-oxido-N-phenylhydroxylamine) diphosphate is sourced from PubChem (CID 20978317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).