tripotassium;2-hydroxypropane-1,2,3-tricarboxylate

C6H5K3O7 — CID 13344

IUPACtripotassium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKeyQEEAPRPFLLJWCF-UHFFFAOYSA-K
MW306.39 g/mol
LogP-14.24
Rot. Bonds5

About tripotassium;2-hydroxypropane-1,2,3-tricarboxylate

tripotassium;2-hydroxypropane-1,2,3-tricarboxylate (PubChem CID 13344) has the molecular formula C6H5K3O7 and a molecular weight of 306.39 g/mol. Its IUPAC name is tripotassium;2-hydroxypropane-1,2,3-tricarboxylate.

Molecular Properties

Compound Nametripotassium;2-hydroxypropane-1,2,3-tricarboxylate
PubChem CID13344
Molecular FormulaC6H5K3O7
Molecular Weight306.39 g/mol
Exact Mass305.89
IUPAC Nametripotassium;2-hydroxypropane-1,2,3-tricarboxylate
SMILESO=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+]
InChIInChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3
InChIKeyQEEAPRPFLLJWCF-UHFFFAOYSA-K
XLogP-14.24
TPSA140.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 5-14.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tripotassium;2-hydroxypropane-1,2,3-tricarboxylate?
The IUPAC name of tripotassium;2-hydroxypropane-1,2,3-tricarboxylate (CID 13344) is tripotassium;2-hydroxypropane-1,2,3-tricarboxylate.
What is the SMILES notation for tripotassium;2-hydroxypropane-1,2,3-tricarboxylate?
The canonical SMILES for tripotassium;2-hydroxypropane-1,2,3-tricarboxylate is O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[K+].[K+].[K+].
What is the InChIKey of tripotassium;2-hydroxypropane-1,2,3-tricarboxylate?
The InChIKey is QEEAPRPFLLJWCF-UHFFFAOYSA-K. The full InChI is InChI=1S/C6H8O7.3K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;3*+1/p-3.
What are the key properties of tripotassium;2-hydroxypropane-1,2,3-tricarboxylate?
tripotassium;2-hydroxypropane-1,2,3-tricarboxylate has a molecular weight of 306.39 g/mol, XLogP of -14.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;2-hydroxypropane-1,2,3-tricarboxylate is sourced from PubChem (CID 13344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).