potassium;2-boronooxy-2-oxoacetic acid;hydride

C2H4BKO6 — CID 174711104

IUPACpotassium;2-boronooxy-2-oxoacetic acid;hydride
SMILESO=C(O)C(=O)OB(O)O.[H-].[K+]
InChIInChI=1S/C2H3BO6.K.H/c4-1(5)2(6)9-3(7)8;;/h7-8H,(H,4,5);;/q;+1;-1
InChIKeyPJPYDMHEECGKHO-UHFFFAOYSA-N
MW173.96 g/mol
LogP-5.30
Rot. Bonds1

About potassium;2-boronooxy-2-oxoacetic acid;hydride

potassium;2-boronooxy-2-oxoacetic acid;hydride (PubChem CID 174711104) has the molecular formula C2H4BKO6 and a molecular weight of 173.96 g/mol. Its IUPAC name is potassium;2-boronooxy-2-oxoacetic acid;hydride.

Molecular Properties

Compound Namepotassium;2-boronooxy-2-oxoacetic acid;hydride
PubChem CID174711104
Molecular FormulaC2H4BKO6
Molecular Weight173.96 g/mol
Exact Mass173.97
IUPAC Namepotassium;2-boronooxy-2-oxoacetic acid;hydride
SMILESO=C(O)C(=O)OB(O)O.[H-].[K+]
InChIInChI=1S/C2H3BO6.K.H/c4-1(5)2(6)9-3(7)8;;/h7-8H,(H,4,5);;/q;+1;-1
InChIKeyPJPYDMHEECGKHO-UHFFFAOYSA-N
XLogP-5.30
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.96
LogP ≤ 5-5.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-[hydroxy(oxalooxy)boranyl]oxy-2-oxoacetic acid;silver
CID 175112898
sodium dioxalooxyborinate
CID 174107794
dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
CID 173339501
cesium;boric acid;hydride;oxalic acid
CID 175079112
2-methoxy-2-oxoacetic acid;bis(yttrium)
CID 58923801
ethane;2-methoxy-2-oxoacetic acid
CID 175061457
potassium;hydride;niobium;oxalic acid
CID 175228480
tetrapotassium;hydride;oxalic acid;dihydrate
CID 175013375
potassium;hydride;oxalic acid;tetrahydrochloride
CID 173258127
calcium;dicarboxyoxyborinic acid;hydride
CID 175129148
2-dithiocyanatooxyboranyloxy-2-oxoacetic acid
CID 175298362
2-(2-boronooxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 87318020

Frequently Asked Questions

What is the IUPAC name of potassium;2-boronooxy-2-oxoacetic acid;hydride?
The IUPAC name of potassium;2-boronooxy-2-oxoacetic acid;hydride (CID 174711104) is potassium;2-boronooxy-2-oxoacetic acid;hydride.
What is the SMILES notation for potassium;2-boronooxy-2-oxoacetic acid;hydride?
The canonical SMILES for potassium;2-boronooxy-2-oxoacetic acid;hydride is O=C(O)C(=O)OB(O)O.[H-].[K+].
What is the InChIKey of potassium;2-boronooxy-2-oxoacetic acid;hydride?
The InChIKey is PJPYDMHEECGKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3BO6.K.H/c4-1(5)2(6)9-3(7)8;;/h7-8H,(H,4,5);;/q;+1;-1.
What are the key properties of potassium;2-boronooxy-2-oxoacetic acid;hydride?
potassium;2-boronooxy-2-oxoacetic acid;hydride has a molecular weight of 173.96 g/mol, XLogP of -5.30, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-boronooxy-2-oxoacetic acid;hydride is sourced from PubChem (CID 174711104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).