potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium

C12H17KO14Ti — CID 173322297

IUPACpotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[K+].[Ti]
InChIInChI=1S/2C6H8O7.K.Ti.H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;+1;;-1
InChIKeyITPUIOAEOALCGX-UHFFFAOYSA-N
MW472.22 g/mol
LogP-5.38
Rot. Bonds10

About potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium

potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium (PubChem CID 173322297) has the molecular formula C12H17KO14Ti and a molecular weight of 472.22 g/mol. Its IUPAC name is potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium.

Molecular Properties

Compound Namepotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium
PubChem CID173322297
Molecular FormulaC12H17KO14Ti
Molecular Weight472.22 g/mol
Exact Mass471.97
IUPAC Namepotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[K+].[Ti]
InChIInChI=1S/2C6H8O7.K.Ti.H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;+1;;-1
InChIKeyITPUIOAEOALCGX-UHFFFAOYSA-N
XLogP-5.38
TPSA264.26 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.22
LogP ≤ 5-5.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;oxalic acid;titanium
CID 175228302
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 174842577
hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate
CID 173194055
lithium;potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173039774
pentasodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 175539982
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 170923205
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
trimagnesium;carbonic acid;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173041286
sodium;azane;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid)
CID 173264516
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
magnesium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hexahydrate
CID 173498708

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium?
The IUPAC name of potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium (CID 173322297) is potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium.
What is the SMILES notation for potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium?
The canonical SMILES for potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium is O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[K+].[Ti].
What is the InChIKey of potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium?
The InChIKey is ITPUIOAEOALCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8O7.K.Ti.H/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;+1;;-1.
What are the key properties of potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium?
potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium has a molecular weight of 472.22 g/mol, XLogP of -5.38, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium is sourced from PubChem (CID 173322297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).