tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium

C11H27NO6P+ — CID 149237603

IUPACtris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium
SMILESCC(C)P(=O)(O)OCC[N+](CCO)(CCO)CCO
InChIInChI=1S/C11H26NO6P/c1-11(2)19(16,17)18-10-6-12(3-7-13,4-8-14)5-9-15/h11,13-15H,3-10H2,1-2H3/p+1
InChIKeyXLNMOTFYRDLBQB-UHFFFAOYSA-O
MW300.31 g/mol
LogP-0.61
Rot. Bonds11

About tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium

tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium (PubChem CID 149237603) has the molecular formula C11H27NO6P+ and a molecular weight of 300.31 g/mol. Its IUPAC name is tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium.

Molecular Properties

Compound Nametris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium
PubChem CID149237603
Molecular FormulaC11H27NO6P+
Molecular Weight300.31 g/mol
Exact Mass300.16
IUPAC Nametris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium
SMILESCC(C)P(=O)(O)OCC[N+](CCO)(CCO)CCO
InChIInChI=1S/C11H26NO6P/c1-11(2)19(16,17)18-10-6-12(3-7-13,4-8-14)5-9-15/h11,13-15H,3-10H2,1-2H3/p+1
InChIKeyXLNMOTFYRDLBQB-UHFFFAOYSA-O
XLogP-0.61
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

3-[hydroxy(propan-2-yl)phosphoryl]oxypropanoic acid
CID 90164494
triethyl-[2-[ethyl-[2-[ethyl-bis(2-hydroxyethyl)azaniumyl]ethoxy]phosphoryl]oxyethyl]azanium
CID 145063114
ethane-1,2-diol;trimethyl(2-phosphonooxyethyl)azanium
CID 87302200
ethyl-[2-hydroxy-3-[2-[2-[2-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethoxy]ethoxy]ethoxy]ethoxy]propoxy]phosphinic acid
CID 166907584
calcium;hydride;2-hydroxyethyl(trimethyl)azanium;trimethyl(2-phosphonooxyethyl)azanium;hydrochloride
CID 174999238
tetrakis(2-hydroxyethyl)azanium bromide
CID 177465102
hydride;tetrakis(2-hydroxyethyl)azanium
CID 18517114
hydroxy dihydrogen phosphate;propane-1,2-diol
CID 174923679
2-[1,2-dihydroxypropoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 54074824
2,3-dihydroxypropyl dihydrogen phosphate;2-hydroxyethyl(trimethyl)azanium
CID 87187110
3-[2-(hydroxymethyl)-3-[3-[hydroxy(propan-2-yloxy)phosphoryl]oxypropoxy]propoxy]propoxy-propan-2-ylphosphinic acid
CID 156663536
triethyl-[2-[oxo-[2-[tris(2-hydroxyethyl)azaniumyl]ethoxy]phosphaniumyl]oxyethyl]azanium
CID 88929505

Frequently Asked Questions

What is the IUPAC name of tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium?
The IUPAC name of tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium (CID 149237603) is tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium.
What is the SMILES notation for tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium?
The canonical SMILES for tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium is CC(C)P(=O)(O)OCC[N+](CCO)(CCO)CCO.
What is the InChIKey of tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium?
The InChIKey is XLNMOTFYRDLBQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H26NO6P/c1-11(2)19(16,17)18-10-6-12(3-7-13,4-8-14)5-9-15/h11,13-15H,3-10H2,1-2H3/p+1.
What are the key properties of tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium?
tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium has a molecular weight of 300.31 g/mol, XLogP of -0.61, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-hydroxyethyl)-[2-[hydroxy(propan-2-yl)phosphoryl]oxyethyl]azanium is sourced from PubChem (CID 149237603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).