octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide

C4H4O24Ti7 — CID 173431892

IUPACoctakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide
SMILESO=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/4CH2O3.4H2O.8O.7Ti/c4*2-1(3)4;;;;;;;;;;;;;;;;;;;/h4*(H2,2,3,4);4*1H2;;;;;;;;;;;;;;;/q;;;;;;;;8*-2;7*+4/p-12
InChIKeyXRVKSLHNILRPMN-UHFFFAOYSA-B
MW771.12 g/mol
LogP-11.46
Rot. Bonds

About octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide

octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide (PubChem CID 173431892) has the molecular formula C4H4O24Ti7 and a molecular weight of 771.12 g/mol. Its IUPAC name is octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide.

Molecular Properties

Compound Nameoctakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide
PubChem CID173431892
Molecular FormulaC4H4O24Ti7
Molecular Weight771.12 g/mol
Exact Mass771.54
IUPAC Nameoctakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide
SMILESO=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4]
InChIInChI=1S/4CH2O3.4H2O.8O.7Ti/c4*2-1(3)4;;;;;;;;;;;;;;;;;;;/h4*(H2,2,3,4);4*1H2;;;;;;;;;;;;;;;/q;;;;;;;;8*-2;7*+4/p-12
InChIKeyXRVKSLHNILRPMN-UHFFFAOYSA-B
XLogP-11.46
TPSA600.76 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.12
LogP ≤ 5-11.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide 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

aluminum;oxygen(2-);titanium(4+);carbonate
CID 158416043
magnesium;oxygen(2-);titanium(4+);carbonate
CID 159180122
cobalt;carbonate;hydroxide
CID 5362494
tris(platinum(2+));dicarbonate;dihydroxide
CID 173036654
CID 170839506
CID 170839506
barium(2+);iron(2+);oxygen(2-);carbonate
CID 158757075
sodium;chromium(3+);carbonate;hydroxide
CID 158360584
cerium(4+);oxygen(2-);carbonate;hydrate
CID 159747762
bis(zirconium(2+));carbonate;dihydroxide;dihydrate
CID 131675351
bis(nickel(2+));oxalate;carbonate
CID 173301316
lanthanum(3+);carbonate;hydroxide;hydrate
CID 173093313
magnesium;barium(2+);carbonate;hydroxide
CID 21449529

Frequently Asked Questions

What is the IUPAC name of octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide?
The IUPAC name of octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide (CID 173431892) is octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide.
What is the SMILES notation for octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide?
The canonical SMILES for octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide is O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[OH-].[OH-].[OH-].[OH-].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].[Ti+4].
What is the InChIKey of octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide?
The InChIKey is XRVKSLHNILRPMN-UHFFFAOYSA-B. The full InChI is InChI=1S/4CH2O3.4H2O.8O.7Ti/c4*2-1(3)4;;;;;;;;;;;;;;;;;;;/h4*(H2,2,3,4);4*1H2;;;;;;;;;;;;;;;/q;;;;;;;;8*-2;7*+4/p-12.
What are the key properties of octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide?
octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide has a molecular weight of 771.12 g/mol, XLogP of -11.46, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(oxygen(2-));heptakis(titanium(4+));tetracarbonate;tetrahydroxide is sourced from PubChem (CID 173431892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).