dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate

C6H12K2O9 — CID 173084487

IUPACdipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate
SMILESO.O=C(O)CC(O)(C(=O)O)C(O)C(=O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C6H8O8.2K.H2O.2H/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);;;1H2;;/q;2*+1;;2*-1
InChIKeyUFISZWIGEOWYGF-UHFFFAOYSA-N
MW306.35 g/mol
LogP-8.87
Rot. Bonds5

About dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate

dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate (PubChem CID 173084487) has the molecular formula C6H12K2O9 and a molecular weight of 306.35 g/mol. Its IUPAC name is dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate.

Molecular Properties

Compound Namedipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate
PubChem CID173084487
Molecular FormulaC6H12K2O9
Molecular Weight306.35 g/mol
Exact Mass305.98
IUPAC Namedipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate
SMILESO.O=C(O)CC(O)(C(=O)O)C(O)C(=O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C6H8O8.2K.H2O.2H/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);;;1H2;;/q;2*+1;;2*-1
InChIKeyUFISZWIGEOWYGF-UHFFFAOYSA-N
XLogP-8.87
TPSA183.86 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 5-8.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc
CID 87634826
3-carboxy-3,4,5-trihydroxy-5-oxopentanoate;bis(yttrium)
CID 58097663
1,2-dihydroxypropane-1,2,3-tricarboxylic acid;(3R)-3-hydroxy-4-(trimethylazaniumyl)butanoate
CID 87426117
2-hydroxybutane-1,2,3-tricarboxylic acid
CID 160778826
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
bis(2-[carbamimidoyl(methyl)amino]acetic acid);1,2-dihydroxypropane-1,2,3-tricarboxylic acid
CID 140506264
potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;2-hydroxypropanoic acid
CID 173088581
lithium;potassium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173039774
1,2-dihydroxypropane-1,2,3-tricarboxylic acid;4-[2-(dimethylamino)ethyl]phenol
CID 69443916
1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87350226

Frequently Asked Questions

What is the IUPAC name of dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate?
The IUPAC name of dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate (CID 173084487) is dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate.
What is the SMILES notation for dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate?
The canonical SMILES for dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate is O.O=C(O)CC(O)(C(=O)O)C(O)C(=O)O.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate?
The InChIKey is UFISZWIGEOWYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O8.2K.H2O.2H/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;;;;;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);;;1H2;;/q;2*+1;;2*-1.
What are the key properties of dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate?
dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate has a molecular weight of 306.35 g/mol, XLogP of -8.87, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;hydride;hydrate is sourced from PubChem (CID 173084487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).