hydroperoxy-(methylaminomethoxy)-oxophosphanium

C2H7NO4P+ — CID 58944947

IUPAChydroperoxy-(methylaminomethoxy)-oxophosphanium
SMILESCNCO[P+](=O)OO
InChIInChI=1S/C2H6NO4P/c1-3-2-6-8(5)7-4/h3H,2H2,1H3/p+1
InChIKeyHCLHBYMPHNMXQQ-UHFFFAOYSA-O
MW140.06 g/mol
LogP0.33
Rot. Bonds4

About hydroperoxy-(methylaminomethoxy)-oxophosphanium

hydroperoxy-(methylaminomethoxy)-oxophosphanium (PubChem CID 58944947) has the molecular formula C2H7NO4P+ and a molecular weight of 140.06 g/mol. Its IUPAC name is hydroperoxy-(methylaminomethoxy)-oxophosphanium.

Molecular Properties

Compound Namehydroperoxy-(methylaminomethoxy)-oxophosphanium
PubChem CID58944947
Molecular FormulaC2H7NO4P+
Molecular Weight140.06 g/mol
Exact Mass140.01
IUPAC Namehydroperoxy-(methylaminomethoxy)-oxophosphanium
SMILESCNCO[P+](=O)OO
InChIInChI=1S/C2H6NO4P/c1-3-2-6-8(5)7-4/h3H,2H2,1H3/p+1
InChIKeyHCLHBYMPHNMXQQ-UHFFFAOYSA-O
XLogP0.33
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.06
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroperoxy-(methylaminomethoxy)-oxophosphanium?
The IUPAC name of hydroperoxy-(methylaminomethoxy)-oxophosphanium (CID 58944947) is hydroperoxy-(methylaminomethoxy)-oxophosphanium.
What is the SMILES notation for hydroperoxy-(methylaminomethoxy)-oxophosphanium?
The canonical SMILES for hydroperoxy-(methylaminomethoxy)-oxophosphanium is CNCO[P+](=O)OO.
What is the InChIKey of hydroperoxy-(methylaminomethoxy)-oxophosphanium?
The InChIKey is HCLHBYMPHNMXQQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6NO4P/c1-3-2-6-8(5)7-4/h3H,2H2,1H3/p+1.
What are the key properties of hydroperoxy-(methylaminomethoxy)-oxophosphanium?
hydroperoxy-(methylaminomethoxy)-oxophosphanium has a molecular weight of 140.06 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxy-(methylaminomethoxy)-oxophosphanium is sourced from PubChem (CID 58944947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).