bis(2-hydroxyiminoethoxy)-oxophosphanium

C4H8N2O5P+ — CID 175557821

IUPACbis(2-hydroxyiminoethoxy)-oxophosphanium
SMILESO=[P+](OCC=NO)OCC=NO
InChIInChI=1S/C4H7N2O5P/c7-5-1-3-10-12(9)11-4-2-6-8/h1-2H,3-4H2,(H-,7,8)/p+1
InChIKeyVRUHBWIPEAKZPB-UHFFFAOYSA-O
MW195.09 g/mol
LogP0.60
Rot. Bonds6

About bis(2-hydroxyiminoethoxy)-oxophosphanium

bis(2-hydroxyiminoethoxy)-oxophosphanium (PubChem CID 175557821) has the molecular formula C4H8N2O5P+ and a molecular weight of 195.09 g/mol. Its IUPAC name is bis(2-hydroxyiminoethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-hydroxyiminoethoxy)-oxophosphanium
PubChem CID175557821
Molecular FormulaC4H8N2O5P+
Molecular Weight195.09 g/mol
Exact Mass195.02
IUPAC Namebis(2-hydroxyiminoethoxy)-oxophosphanium
SMILESO=[P+](OCC=NO)OCC=NO
InChIInChI=1S/C4H7N2O5P/c7-5-1-3-10-12(9)11-4-2-6-8/h1-2H,3-4H2,(H-,7,8)/p+1
InChIKeyVRUHBWIPEAKZPB-UHFFFAOYSA-O
XLogP0.60
TPSA100.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.09
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

(NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine
CID 13204159
bis[(2E)-2-methoxyiminoethoxy]-oxophosphanium
CID 17769584
2-(Ethylideneamino)oxyethoxy-methylphosphinic acid
CID 59073323
Diethyl [2-(hydroxyimino)ethyl]phosphonate
CID 71335397
Bis(2-methoxyiminoethoxy)-oxophosphanium
CID 73410668
Hydroxy-(2-methoxyiminoethoxy)-oxophosphanium
CID 88631687
N-methoxy-2-[methoxy(methyl)phosphoryl]oxyethanimine
CID 88631889
(NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine
CID 146347071
2-Ethoxyiminoethoxy-methyl-oxophosphanium
CID 151695946
Ethoxy(2-hydroxyiminoethyl)phosphinic acid
CID 169084760
ethoxy-[(2Z)-2-hydroxyiminoethyl]phosphinic acid
CID 172919300
Hydroxy-(2-hydroxyiminoethoxy)-oxophosphanium
CID 175557814

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxyiminoethoxy)-oxophosphanium?
The IUPAC name of bis(2-hydroxyiminoethoxy)-oxophosphanium (CID 175557821) is bis(2-hydroxyiminoethoxy)-oxophosphanium.
What is the SMILES notation for bis(2-hydroxyiminoethoxy)-oxophosphanium?
The canonical SMILES for bis(2-hydroxyiminoethoxy)-oxophosphanium is O=[P+](OCC=NO)OCC=NO.
What is the InChIKey of bis(2-hydroxyiminoethoxy)-oxophosphanium?
The InChIKey is VRUHBWIPEAKZPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7N2O5P/c7-5-1-3-10-12(9)11-4-2-6-8/h1-2H,3-4H2,(H-,7,8)/p+1.
What are the key properties of bis(2-hydroxyiminoethoxy)-oxophosphanium?
bis(2-hydroxyiminoethoxy)-oxophosphanium has a molecular weight of 195.09 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxyiminoethoxy)-oxophosphanium is sourced from PubChem (CID 175557821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).