heptakis(2-hydroxyacetic acid);yttrium;zirconium

C14H28O21YZr — CID 154733245

IUPACheptakis(2-hydroxyacetic acid);yttrium;zirconium
SMILESO=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.[Y].[Zr]
InChIInChI=1S/7C2H4O3.Y.Zr/c7*3-1-2(4)5;;/h7*3H,1H2,(H,4,5);;
InChIKeyVRLXQYRQKJLYPE-UHFFFAOYSA-N
MW712.49 g/mol
LogP-6.56
Rot. Bonds7

About heptakis(2-hydroxyacetic acid);yttrium;zirconium

heptakis(2-hydroxyacetic acid);yttrium;zirconium (PubChem CID 154733245) has the molecular formula C14H28O21YZr and a molecular weight of 712.49 g/mol. Its IUPAC name is heptakis(2-hydroxyacetic acid);yttrium;zirconium.

Molecular Properties

Compound Nameheptakis(2-hydroxyacetic acid);yttrium;zirconium
PubChem CID154733245
Molecular FormulaC14H28O21YZr
Molecular Weight712.49 g/mol
Exact Mass710.92
IUPAC Nameheptakis(2-hydroxyacetic acid);yttrium;zirconium
SMILESO=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.[Y].[Zr]
InChIInChI=1S/7C2H4O3.Y.Zr/c7*3-1-2(4)5;;/h7*3H,1H2,(H,4,5);;
InChIKeyVRLXQYRQKJLYPE-UHFFFAOYSA-N
XLogP-6.56
TPSA402.71 Ų
H-Bond Donors14
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500712.49
LogP ≤ 5-6.56
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1014

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Related Compounds

2-hydroxyacetic acid;silane;zirconium
CID 174940076
azane;2-hydroxyacetic acid;zirconium
CID 173458110
CID 88684247
CID 88684247
tetrakis(2-hydroxyacetic acid);silane
CID 173225780
bis(2-hydroxyacetic acid);methane
CID 158039555
dioxidanium;bis(2-hydroxyacetic acid);manganese
CID 5232950
benzene;2-hydroxyacetic acid
CID 67764636
acetylene;2-hydroxyacetic acid
CID 158693227
ethane-1,2-diol;2-hydroxyacetic acid;stibane
CID 174707857
2-hydroxyacetic acid;phosphoric acid
CID 23322415
2-hydroxyacetic acid;sulfurous acid
CID 87280138
2-hydroxyacetic acid;methoxymethane
CID 87581490

Frequently Asked Questions

What is the IUPAC name of heptakis(2-hydroxyacetic acid);yttrium;zirconium?
The IUPAC name of heptakis(2-hydroxyacetic acid);yttrium;zirconium (CID 154733245) is heptakis(2-hydroxyacetic acid);yttrium;zirconium.
What is the SMILES notation for heptakis(2-hydroxyacetic acid);yttrium;zirconium?
The canonical SMILES for heptakis(2-hydroxyacetic acid);yttrium;zirconium is O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.O=C(O)CO.[Y].[Zr].
What is the InChIKey of heptakis(2-hydroxyacetic acid);yttrium;zirconium?
The InChIKey is VRLXQYRQKJLYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/7C2H4O3.Y.Zr/c7*3-1-2(4)5;;/h7*3H,1H2,(H,4,5);;.
What are the key properties of heptakis(2-hydroxyacetic acid);yttrium;zirconium?
heptakis(2-hydroxyacetic acid);yttrium;zirconium has a molecular weight of 712.49 g/mol, XLogP of -6.56, 7 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for heptakis(2-hydroxyacetic acid);yttrium;zirconium is sourced from PubChem (CID 154733245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).