dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid

C6H10K2N2O10 — CID 173339501

IUPACdipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
SMILESN.N.O=C(O)C(=O)OC(=O)C(=O)OC(=O)C(=O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C6H2O10.2K.2H3N.2H/c7-1(8)3(11)15-5(13)6(14)16-4(12)2(9)10;;;;;;/h(H,7,8)(H,9,10);;;2*1H3;;/q;2*+1;;;2*-1
InChIKeyIZCWISAWOMZSDX-UHFFFAOYSA-N
MW348.35 g/mol
LogP-8.15
Rot. Bonds

About dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid

dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid (PubChem CID 173339501) has the molecular formula C6H10K2N2O10 and a molecular weight of 348.35 g/mol. Its IUPAC name is dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid.

Molecular Properties

Compound Namedipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
PubChem CID173339501
Molecular FormulaC6H10K2N2O10
Molecular Weight348.35 g/mol
Exact Mass347.96
IUPAC Namedipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
SMILESN.N.O=C(O)C(=O)OC(=O)C(=O)OC(=O)C(=O)O.[H-].[H-].[K+].[K+]
InChIInChI=1S/C6H2O10.2K.2H3N.2H/c7-1(8)3(11)15-5(13)6(14)16-4(12)2(9)10;;;;;;/h(H,7,8)(H,9,10);;;2*1H3;;/q;2*+1;;;2*-1
InChIKeyIZCWISAWOMZSDX-UHFFFAOYSA-N
XLogP-8.15
TPSA231.34 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 5-8.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
CID 174864025
potassium;azane;hydride;iron;oxalic acid
CID 173003601
dicalcium;dicarboxy oxalate;hydride
CID 173334486
potassium;2-boronooxy-2-oxoacetic acid;hydride
CID 174711104
dilithium;2-[2-(carboxylatoformyl)oxy-2-oxoacetyl]oxy-2-oxoacetate
CID 175143066
potassium;hydride;oxalic acid;tetrahydrochloride
CID 173258127
potassium;hydride;niobium;oxalic acid
CID 175228480
tetrapotassium;hydride;oxalic acid;dihydrate
CID 175013375
azane;2-oxalooxysulfonyloxy-2-oxoacetic acid
CID 174442656
2-iodooxy-2-oxoacetic acid
CID 90996944
sodium;hydride;2-[hydroxy(oxalooxy)phosphoryl]oxy-2-oxoacetic acid
CID 175451880
2-methoxy-2-oxoacetic acid;bis(yttrium)
CID 58923801

Frequently Asked Questions

What is the IUPAC name of dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid?
The IUPAC name of dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid (CID 173339501) is dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid.
What is the SMILES notation for dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid?
The canonical SMILES for dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid is N.N.O=C(O)C(=O)OC(=O)C(=O)OC(=O)C(=O)O.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid?
The InChIKey is IZCWISAWOMZSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2O10.2K.2H3N.2H/c7-1(8)3(11)15-5(13)6(14)16-4(12)2(9)10;;;;;;/h(H,7,8)(H,9,10);;;2*1H3;;/q;2*+1;;;2*-1.
What are the key properties of dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid?
dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid has a molecular weight of 348.35 g/mol, XLogP of -8.15, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid is sourced from PubChem (CID 173339501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).