2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium

C6H18NO4P+2 — CID 21028953

IUPAC2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium
SMILESCO[P+](O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C6H18NO4P/c1-7(2,3)5-6-11-12(8,9)10-4/h8-9H,5-6H2,1-4H3/q+2
InChIKeyCKEMBGTXTFCGIZ-UHFFFAOYSA-N
MW199.19 g/mol
LogP0.02
Rot. Bonds5

About 2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium

2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium (PubChem CID 21028953) has the molecular formula C6H18NO4P+2 and a molecular weight of 199.19 g/mol. Its IUPAC name is 2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium.

Molecular Properties

Compound Name2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium
PubChem CID21028953
Molecular FormulaC6H18NO4P+2
Molecular Weight199.19 g/mol
Exact Mass199.10
IUPAC Name2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium
SMILESCO[P+](O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C6H18NO4P/c1-7(2,3)5-6-11-12(8,9)10-4/h8-9H,5-6H2,1-4H3/q+2
InChIKeyCKEMBGTXTFCGIZ-UHFFFAOYSA-N
XLogP0.02
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium?
The IUPAC name of 2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium (CID 21028953) is 2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium.
What is the SMILES notation for 2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium?
The canonical SMILES for 2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium is CO[P+](O)(O)OCC[N+](C)(C)C.
What is the InChIKey of 2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium?
The InChIKey is CKEMBGTXTFCGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18NO4P/c1-7(2,3)5-6-11-12(8,9)10-4/h8-9H,5-6H2,1-4H3/q+2.
What are the key properties of 2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium?
2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium has a molecular weight of 199.19 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxy(methoxy)phosphaniumyl]oxyethyl-trimethylazanium is sourced from PubChem (CID 21028953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).