tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium

C13H32N2O6P+3 — CID 129235384

IUPACtris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
SMILESC[N+](C)(C)CCO[P+](=O)OCC[N+](CCO)(CCO)CCO
InChIInChI=1S/C13H32N2O6P/c1-14(2,3)7-12-20-22(19)21-13-8-15(4-9-16,5-10-17)6-11-18/h16-18H,4-13H2,1-3H3/q+3
InChIKeyRJYDOVWYHCJPNA-UHFFFAOYSA-N
MW343.38 g/mol
LogP-0.82
Rot. Bonds14

About tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium

tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium (PubChem CID 129235384) has the molecular formula C13H32N2O6P+3 and a molecular weight of 343.38 g/mol. Its IUPAC name is tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium.

Molecular Properties

Compound Nametris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
PubChem CID129235384
Molecular FormulaC13H32N2O6P+3
Molecular Weight343.38 g/mol
Exact Mass343.20
IUPAC Nametris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
SMILESC[N+](C)(C)CCO[P+](=O)OCC[N+](CCO)(CCO)CCO
InChIInChI=1S/C13H32N2O6P/c1-14(2,3)7-12-20-22(19)21-13-8-15(4-9-16,5-10-17)6-11-18/h16-18H,4-13H2,1-3H3/q+3
InChIKeyRJYDOVWYHCJPNA-UHFFFAOYSA-N
XLogP-0.82
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium
CID 88929505
trimethyl-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium
CID 135354704
2-[hexoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174865096
2-[hydroxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 19977615
2-[chloro(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 91359871
2-[4-but-2-enoyloxybutoxy(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 174446270
2-hydroxyethyl(trimethyl)azanium;molecular oxygen
CID 87859014
2-[dodecyl(oxo)phosphaniumyl]oxyethyl-trimethylazanium
CID 20977395
bis(2-hydroxyethyl)-bis(2-tetradecoxyethyl)azanium
CID 101163800
bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium
CID 101163799
2-hydroxyethyl-methyl-bis(3-oxo-3-tetradecoxypropyl)azanium
CID 102127020
deuteride;tetrakis(2-hydroxyethyl(trimethyl)azanium)
CID 141334455

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium?
The IUPAC name of tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium (CID 129235384) is tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium.
What is the SMILES notation for tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium?
The canonical SMILES for tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium is C[N+](C)(C)CCO[P+](=O)OCC[N+](CCO)(CCO)CCO.
What is the InChIKey of tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium?
The InChIKey is RJYDOVWYHCJPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H32N2O6P/c1-14(2,3)7-12-20-22(19)21-13-8-15(4-9-16,5-10-17)6-11-18/h16-18H,4-13H2,1-3H3/q+3.
What are the key properties of tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium?
tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium has a molecular weight of 343.38 g/mol, XLogP of -0.82, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)-[2-[oxo-[2-(trimethylazaniumyl)ethoxy]phosphaniumyl]oxyethyl]azanium is sourced from PubChem (CID 129235384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).