azanium ethyl methoxy phosphite

C3H12NO4P — CID 21332937

IUPACazanium ethyl methoxy phosphite
SMILESCCOP([O-])OOC.[NH4+]
InChIInChI=1S/C3H8O4P.H3N/c1-3-6-8(4)7-5-2;/h3H2,1-2H3;1H3/q-1;/p+1
InChIKeyWSTXOKYRVDJRSK-UHFFFAOYSA-O
MW157.11 g/mol
LogP0.56
Rot. Bonds4

About azanium ethyl methoxy phosphite

azanium ethyl methoxy phosphite (PubChem CID 21332937) has the molecular formula C3H12NO4P and a molecular weight of 157.11 g/mol. Its IUPAC name is azanium ethyl methoxy phosphite.

Molecular Properties

Compound Nameazanium ethyl methoxy phosphite
PubChem CID21332937
Molecular FormulaC3H12NO4P
Molecular Weight157.11 g/mol
Exact Mass157.05
IUPAC Nameazanium ethyl methoxy phosphite
SMILESCCOP([O-])OOC.[NH4+]
InChIInChI=1S/C3H8O4P.H3N/c1-3-6-8(4)7-5-2;/h3H2,1-2H3;1H3/q-1;/p+1
InChIKeyWSTXOKYRVDJRSK-UHFFFAOYSA-O
XLogP0.56
TPSA87.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

calcium ethyl phosphite
CID 22914058
ethyl phosphite;iron(2+)
CID 88797348
[amino(methoxy)phosphanyl]oxyethane
CID 89006089
tris(dipropyl phosphite);indium(3+)
CID 23460130
butyl methyl phosphite
CID 21328235
diethoxy(methyl)phosphane;phosphane
CID 174821155
diethyl hydrogen phosphite
CID 12977
azane;ethyl methyl hydrogen phosphite
CID 173447260
ethyl dihydrogen phosphite;dihydrochloride
CID 88746637
phosphorous acid;triethyl phosphite
CID 174300225
bromocopper;triethyl phosphite
CID 12653173
diethyl hydrogen phosphite;mercury
CID 54602640

Frequently Asked Questions

What is the IUPAC name of azanium ethyl methoxy phosphite?
The IUPAC name of azanium ethyl methoxy phosphite (CID 21332937) is azanium ethyl methoxy phosphite.
What is the SMILES notation for azanium ethyl methoxy phosphite?
The canonical SMILES for azanium ethyl methoxy phosphite is CCOP([O-])OOC.[NH4+].
What is the InChIKey of azanium ethyl methoxy phosphite?
The InChIKey is WSTXOKYRVDJRSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8O4P.H3N/c1-3-6-8(4)7-5-2;/h3H2,1-2H3;1H3/q-1;/p+1.
What are the key properties of azanium ethyl methoxy phosphite?
azanium ethyl methoxy phosphite has a molecular weight of 157.11 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium ethyl methoxy phosphite is sourced from PubChem (CID 21332937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).