bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium

C8H12N2O9P+ — CID 91060165

IUPACbis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium
SMILESO=CN(O)C=COCO[P+](=O)OCOC=CN(O)C=O
InChIInChI=1S/C8H12N2O9P/c11-5-9(13)1-3-16-7-18-20(15)19-8-17-4-2-10(14)6-12/h1-6,13-14H,7-8H2/q+1
InChIKeyMETXXJQJEHRWBH-UHFFFAOYSA-N
MW311.16 g/mol
LogP0.26
Rot. Bonds12

About bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium

bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium (PubChem CID 91060165) has the molecular formula C8H12N2O9P+ and a molecular weight of 311.16 g/mol. Its IUPAC name is bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium
PubChem CID91060165
Molecular FormulaC8H12N2O9P+
Molecular Weight311.16 g/mol
Exact Mass311.03
IUPAC Namebis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium
SMILESO=CN(O)C=COCO[P+](=O)OCOC=CN(O)C=O
InChIInChI=1S/C8H12N2O9P/c11-5-9(13)1-3-16-7-18-20(15)19-8-17-4-2-10(14)6-12/h1-6,13-14H,7-8H2/q+1
InChIKeyMETXXJQJEHRWBH-UHFFFAOYSA-N
XLogP0.26
TPSA135.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium?
The IUPAC name of bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium (CID 91060165) is bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium.
What is the SMILES notation for bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium?
The canonical SMILES for bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium is O=CN(O)C=COCO[P+](=O)OCOC=CN(O)C=O.
What is the InChIKey of bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium?
The InChIKey is METXXJQJEHRWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O9P/c11-5-9(13)1-3-16-7-18-20(15)19-8-17-4-2-10(14)6-12/h1-6,13-14H,7-8H2/q+1.
What are the key properties of bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium?
bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium has a molecular weight of 311.16 g/mol, XLogP of 0.26, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-[formyl(hydroxy)amino]ethenoxymethoxy]-oxophosphanium is sourced from PubChem (CID 91060165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).