disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+)

C12H18Na2O12Ti — CID 173236191

IUPACdisodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].CC([O-])C(=O)[O-].CC([O-])C(=O)[O-].[Na+].[Na+].[Ti+4]
InChIInChI=1S/2C3H6O3.2C3H5O3.2Na.Ti/c4*1-2(4)3(5)6;;;/h2*2,4H,1H3,(H,5,6);2*2H,1H3,(H,5,6);;;/q;;2*-1;2*+1;+4/p-4
InChIKeyFRAJYDWKBJLFFG-UHFFFAOYSA-J
MW448.11 g/mol
LogP-14.79
Rot. Bonds4

About disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+)

disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+) (PubChem CID 173236191) has the molecular formula C12H18Na2O12Ti and a molecular weight of 448.11 g/mol. Its IUPAC name is disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+).

Molecular Properties

Compound Namedisodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+)
PubChem CID173236191
Molecular FormulaC12H18Na2O12Ti
Molecular Weight448.11 g/mol
Exact Mass448.01
IUPAC Namedisodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+)
SMILESCC(O)C(=O)[O-].CC(O)C(=O)[O-].CC([O-])C(=O)[O-].CC([O-])C(=O)[O-].[Na+].[Na+].[Ti+4]
InChIInChI=1S/2C3H6O3.2C3H5O3.2Na.Ti/c4*1-2(4)3(5)6;;;/h2*2,4H,1H3,(H,5,6);2*2H,1H3,(H,5,6);;;/q;;2*-1;2*+1;+4/p-4
InChIKeyFRAJYDWKBJLFFG-UHFFFAOYSA-J
XLogP-14.79
TPSA247.10 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.11
LogP ≤ 5-14.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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Related Compounds

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2-hydroxypropanoate;tantalum(5+)
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strontium bis(2-hydroxypropanoate)
CID 91886528
gold(3+);tris(2-hydroxypropanoate)
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Frequently Asked Questions

What is the IUPAC name of disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+)?
The IUPAC name of disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+) (CID 173236191) is disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+).
What is the SMILES notation for disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+)?
The canonical SMILES for disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+) is CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC([O-])C(=O)[O-].CC([O-])C(=O)[O-].[Na+].[Na+].[Ti+4].
What is the InChIKey of disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+)?
The InChIKey is FRAJYDWKBJLFFG-UHFFFAOYSA-J. The full InChI is InChI=1S/2C3H6O3.2C3H5O3.2Na.Ti/c4*1-2(4)3(5)6;;;/h2*2,4H,1H3,(H,5,6);2*2H,1H3,(H,5,6);;;/q;;2*-1;2*+1;+4/p-4.
What are the key properties of disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+)?
disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+) has a molecular weight of 448.11 g/mol, XLogP of -14.79, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;bis(2-hydroxypropanoate);bis(2-oxidopropanoate);titanium(4+) is sourced from PubChem (CID 173236191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).