bis(3-hydroxypropanoic acid);oxotitanium

C6H12O7Ti — CID 58999446

IUPACbis(3-hydroxypropanoic acid);oxotitanium
SMILESO=C(O)CCO.O=C(O)CCO.O=[Ti]
InChIInChI=1S/2C3H6O3.O.Ti/c2*4-2-1-3(5)6;;/h2*4H,1-2H2,(H,5,6);;
InChIKeyAGZGBXPCNOZYCO-UHFFFAOYSA-N
MW244.02 g/mol
LogP-1.21
Rot. Bonds4

About bis(3-hydroxypropanoic acid);oxotitanium

bis(3-hydroxypropanoic acid);oxotitanium (PubChem CID 58999446) has the molecular formula C6H12O7Ti and a molecular weight of 244.02 g/mol. Its IUPAC name is bis(3-hydroxypropanoic acid);oxotitanium.

Molecular Properties

Compound Namebis(3-hydroxypropanoic acid);oxotitanium
PubChem CID58999446
Molecular FormulaC6H12O7Ti
Molecular Weight244.02 g/mol
Exact Mass244.01
IUPAC Namebis(3-hydroxypropanoic acid);oxotitanium
SMILESO=C(O)CCO.O=C(O)CCO.O=[Ti]
InChIInChI=1S/2C3H6O3.O.Ti/c2*4-2-1-3(5)6;;/h2*4H,1-2H2,(H,5,6);;
InChIKeyAGZGBXPCNOZYCO-UHFFFAOYSA-N
XLogP-1.21
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.02
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze bis(3-hydroxypropanoic acid);oxotitanium 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

bismuthane;3-hydroxypropanoic acid
CID 173193859
dichloromethane;3-hydroxypropanoic acid
CID 87483179
butane;3-hydroxypropanoic acid
CID 87992662
butanoic acid;3-hydroxypropanoic acid
CID 87339228
acetonitrile;azane;3-hydroxypropanoic acid
CID 173223409
2,3-dihydroxypropanoic acid;3-hydroxypropanoic acid
CID 87631313
4-hydroxy-2-oxobutanoic acid
CID 168875529
8-hydroxy-6-oxooctanoic acid
CID 22280337
ethane-1,2-diol;heptanedioic acid
CID 130422873
4-hydroxybutanoic acid;iron
CID 175070991
5-hydroxypentanoic acid
CID 25945
4-hydroxybutanoic acid;yttrium
CID 58261226

Frequently Asked Questions

What is the IUPAC name of bis(3-hydroxypropanoic acid);oxotitanium?
The IUPAC name of bis(3-hydroxypropanoic acid);oxotitanium (CID 58999446) is bis(3-hydroxypropanoic acid);oxotitanium.
What is the SMILES notation for bis(3-hydroxypropanoic acid);oxotitanium?
The canonical SMILES for bis(3-hydroxypropanoic acid);oxotitanium is O=C(O)CCO.O=C(O)CCO.O=[Ti].
What is the InChIKey of bis(3-hydroxypropanoic acid);oxotitanium?
The InChIKey is AGZGBXPCNOZYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O3.O.Ti/c2*4-2-1-3(5)6;;/h2*4H,1-2H2,(H,5,6);;.
What are the key properties of bis(3-hydroxypropanoic acid);oxotitanium?
bis(3-hydroxypropanoic acid);oxotitanium has a molecular weight of 244.02 g/mol, XLogP of -1.21, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-hydroxypropanoic acid);oxotitanium is sourced from PubChem (CID 58999446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).