hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate

C12H30K6O18 — CID 173194055

IUPAChexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate
SMILESO.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/2C6H8O7.6K.4H2O.6H/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);;;;;;;4*1H2;;;;;;/q;;6*+1;;;;;6*-1
InChIKeyODYIHCKSBDWEJO-UHFFFAOYSA-N
MW696.94 g/mol
LogP-23.10
Rot. Bonds10

About hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate

hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate (PubChem CID 173194055) has the molecular formula C12H30K6O18 and a molecular weight of 696.94 g/mol. Its IUPAC name is hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate.

Molecular Properties

Compound Namehexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate
PubChem CID173194055
Molecular FormulaC12H30K6O18
Molecular Weight696.94 g/mol
Exact Mass695.93
IUPAC Namehexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate
SMILESO.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/2C6H8O7.6K.4H2O.6H/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);;;;;;;4*1H2;;;;;;/q;;6*+1;;;;;6*-1
InChIKeyODYIHCKSBDWEJO-UHFFFAOYSA-N
XLogP-23.10
TPSA390.26 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.94
LogP ≤ 5-23.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 173006482
dipotassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 174842577
lithium;potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173039774
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501
trisodium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 173025138
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 173006490
potassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);titanium
CID 173322297
magnesium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hexahydrate
CID 173498708
dicalcium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;tetrahydrate
CID 175537707
trimagnesium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);hydrate
CID 173246705
barium(2+);hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173410096

Frequently Asked Questions

What is the IUPAC name of hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate?
The IUPAC name of hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate (CID 173194055) is hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate.
What is the SMILES notation for hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate?
The canonical SMILES for hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate is O.O.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[K+].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate?
The InChIKey is ODYIHCKSBDWEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8O7.6K.4H2O.6H/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);;;;;;;4*1H2;;;;;;/q;;6*+1;;;;;6*-1.
What are the key properties of hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate?
hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate has a molecular weight of 696.94 g/mol, XLogP of -23.10, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hexapotassium;hydride;bis(2-hydroxypropane-1,2,3-tricarboxylic acid);tetrahydrate is sourced from PubChem (CID 173194055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).