pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate

C10H11K5O11 — CID 173491967

IUPACpentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C6H8O7.2C2H4O2.5K/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*1-2(3)4;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3,(H,3,4);;;;;/q;;;5*+1/p-5
InChIKeyIQEXTAWAQHJYNL-UHFFFAOYSA-I
MW502.68 g/mol
LogP-22.72
Rot. Bonds5

About pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate

pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate (PubChem CID 173491967) has the molecular formula C10H11K5O11 and a molecular weight of 502.68 g/mol. Its IUPAC name is pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate.

Molecular Properties

Compound Namepentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate
PubChem CID173491967
Molecular FormulaC10H11K5O11
Molecular Weight502.68 g/mol
Exact Mass501.85
IUPAC Namepentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate
SMILESCC(=O)[O-].CC(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+]
InChIInChI=1S/C6H8O7.2C2H4O2.5K/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*1-2(3)4;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3,(H,3,4);;;;;/q;;;5*+1/p-5
InChIKeyIQEXTAWAQHJYNL-UHFFFAOYSA-I
XLogP-22.72
TPSA220.88 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 5-22.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

potassium;trisodium;2-hydroxypropane-1,2,3-tricarboxylate;acetate;dihydrate
CID 173181052
dipotassium;sodium;2-hydroxypropane-1,2,3-tricarboxylate
CID 15251596
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
CID 19784307
acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium
CID 159987466
hexapotassium;sodium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydroxide
CID 19774871
bis(copper(1+));2-hydroxypropane-1,2,3-tricarboxylate
CID 21120021
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
2-hydroxypropane-1,2,3-tricarboxylate;oxalate;palladium;palladium(2+)
CID 175693009
bismuth;tripotassium;bis(2-hydroxypropane-1,2,3-tricarboxylate);molecular hydrogen
CID 170844588
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703

Frequently Asked Questions

What is the IUPAC name of pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate?
The IUPAC name of pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate (CID 173491967) is pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate.
What is the SMILES notation for pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate?
The canonical SMILES for pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate is CC(=O)[O-].CC(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+].[K+].[K+].
What is the InChIKey of pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate?
The InChIKey is IQEXTAWAQHJYNL-UHFFFAOYSA-I. The full InChI is InChI=1S/C6H8O7.2C2H4O2.5K/c7-3(8)1-6(13,5(11)12)2-4(9)10;2*1-2(3)4;;;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3,(H,3,4);;;;;/q;;;5*+1/p-5.
What are the key properties of pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate?
pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate has a molecular weight of 502.68 g/mol, XLogP of -22.72, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for pentapotassium;2-hydroxypropane-1,2,3-tricarboxylate;diacetate is sourced from PubChem (CID 173491967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).