[(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid

C2H6NO5P — CID 138970810

IUPAC[(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid
SMILESO=P(O)(O)C(O)/C=N/O
InChIInChI=1S/C2H6NO5P/c4-2(1-3-5)9(6,7)8/h1-2,4-5H,(H2,6,7,8)/b3-1+
InChIKeyGEYWNRQYIHAXPM-HNQUOIGGSA-N
MW155.05 g/mol
LogP-1.06
Rot. Bonds2

About [(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid

[(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid (PubChem CID 138970810) has the molecular formula C2H6NO5P and a molecular weight of 155.05 g/mol. Its IUPAC name is [(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid.

Molecular Properties

Compound Name[(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid
PubChem CID138970810
Molecular FormulaC2H6NO5P
Molecular Weight155.05 g/mol
Exact Mass155.00
IUPAC Name[(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid
SMILESO=P(O)(O)C(O)/C=N/O
InChIInChI=1S/C2H6NO5P/c4-2(1-3-5)9(6,7)8/h1-2,4-5H,(H2,6,7,8)/b3-1+
InChIKeyGEYWNRQYIHAXPM-HNQUOIGGSA-N
XLogP-1.06
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.05
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'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 [(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid?
The IUPAC name of [(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid (CID 138970810) is [(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid.
What is the SMILES notation for [(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid?
The canonical SMILES for [(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid is O=P(O)(O)C(O)/C=N/O.
What is the InChIKey of [(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid?
The InChIKey is GEYWNRQYIHAXPM-HNQUOIGGSA-N. The full InChI is InChI=1S/C2H6NO5P/c4-2(1-3-5)9(6,7)8/h1-2,4-5H,(H2,6,7,8)/b3-1+.
What are the key properties of [(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid?
[(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid has a molecular weight of 155.05 g/mol, XLogP of -1.06, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-1-hydroxy-2-hydroxyiminoethyl]phosphonic acid is sourced from PubChem (CID 138970810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).