N-hydroxy-4-phosphonooxybenzeneamine oxide

C6H8NO6P — CID 20849120

IUPACN-hydroxy-4-phosphonooxybenzeneamine oxide
SMILESO=P(O)(O)Oc1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C6H8NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4,7-8H,(H2,10,11,12)
InChIKeyAHPOFUMHXSTLEV-UHFFFAOYSA-N
MW221.11 g/mol
LogP-0.44
Rot. Bonds3

About N-hydroxy-4-phosphonooxybenzeneamine oxide

N-hydroxy-4-phosphonooxybenzeneamine oxide (PubChem CID 20849120) has the molecular formula C6H8NO6P and a molecular weight of 221.11 g/mol. Its IUPAC name is N-hydroxy-4-phosphonooxybenzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-4-phosphonooxybenzeneamine oxide
PubChem CID20849120
Molecular FormulaC6H8NO6P
Molecular Weight221.11 g/mol
Exact Mass221.01
IUPAC NameN-hydroxy-4-phosphonooxybenzeneamine oxide
SMILESO=P(O)(O)Oc1ccc([NH+]([O-])O)cc1
InChIInChI=1S/C6H8NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4,7-8H,(H2,10,11,12)
InChIKeyAHPOFUMHXSTLEV-UHFFFAOYSA-N
XLogP-0.44
TPSA114.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 N-hydroxy-4-phosphonooxybenzeneamine oxide?
The IUPAC name of N-hydroxy-4-phosphonooxybenzeneamine oxide (CID 20849120) is N-hydroxy-4-phosphonooxybenzeneamine oxide.
What is the SMILES notation for N-hydroxy-4-phosphonooxybenzeneamine oxide?
The canonical SMILES for N-hydroxy-4-phosphonooxybenzeneamine oxide is O=P(O)(O)Oc1ccc([NH+]([O-])O)cc1.
What is the InChIKey of N-hydroxy-4-phosphonooxybenzeneamine oxide?
The InChIKey is AHPOFUMHXSTLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4,7-8H,(H2,10,11,12).
What are the key properties of N-hydroxy-4-phosphonooxybenzeneamine oxide?
N-hydroxy-4-phosphonooxybenzeneamine oxide has a molecular weight of 221.11 g/mol, XLogP of -0.44, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-phosphonooxybenzeneamine oxide is sourced from PubChem (CID 20849120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).