tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium

C24H62N4O15Zr — CID 173005624

IUPACtetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium
SMILESO=[Zr](O)O.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/4C6H15NO3.2H2O.O.Zr/c4*8-4-1-7(2-5-9)3-6-10;;;;/h4*8-10H,1-6H2;2*1H2;;/q;;;;;;;+2/p-2
InChIKeyUADASWNGOUUWAA-UHFFFAOYSA-L
MW738.00 g/mol
LogP-8.17
Rot. Bonds24

About tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium

tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium (PubChem CID 173005624) has the molecular formula C24H62N4O15Zr and a molecular weight of 738.00 g/mol. Its IUPAC name is tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium.

Molecular Properties

Compound Nametetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium
PubChem CID173005624
Molecular FormulaC24H62N4O15Zr
Molecular Weight738.00 g/mol
Exact Mass736.33
IUPAC Nametetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium
SMILESO=[Zr](O)O.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/4C6H15NO3.2H2O.O.Zr/c4*8-4-1-7(2-5-9)3-6-10;;;;/h4*8-10H,1-6H2;2*1H2;;/q;;;;;;;+2/p-2
InChIKeyUADASWNGOUUWAA-UHFFFAOYSA-L
XLogP-8.17
TPSA313.25 Ų
H-Bond Donors14
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500738.00
LogP ≤ 5-8.17
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1017

Analyze tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
CID 23700456
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[bis(2-hydroxyethyl)amino]ethanol;ethanamine
CID 160554975
2-[bis(2-hydroxyethyl)amino]ethanol;dichloromethane
CID 158265405
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium?
The IUPAC name of tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium (CID 173005624) is tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium.
What is the SMILES notation for tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium?
The canonical SMILES for tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium is O=[Zr](O)O.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.OCCN(CCO)CCO.
What is the InChIKey of tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium?
The InChIKey is UADASWNGOUUWAA-UHFFFAOYSA-L. The full InChI is InChI=1S/4C6H15NO3.2H2O.O.Zr/c4*8-4-1-7(2-5-9)3-6-10;;;;/h4*8-10H,1-6H2;2*1H2;;/q;;;;;;;+2/p-2.
What are the key properties of tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium?
tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium has a molecular weight of 738.00 g/mol, XLogP of -8.17, 24 rotatable bonds, 14 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-[bis(2-hydroxyethyl)amino]ethanol);dihydroxy(oxo)zirconium is sourced from PubChem (CID 173005624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).