azane;2-oxalooxysulfonyloxy-2-oxoacetic acid

C4H8N2O10S — CID 174442656

IUPACazane;2-oxalooxysulfonyloxy-2-oxoacetic acid
SMILESN.N.O=C(O)C(=O)OS(=O)(=O)OC(=O)C(=O)O
InChIInChI=1S/C4H2O10S.2H3N/c5-1(6)3(9)13-15(11,12)14-4(10)2(7)8;;/h(H,5,6)(H,7,8);2*1H3
InChIKeyHHROQMINAIPVQD-UHFFFAOYSA-N
MW276.18 g/mol
LogP-2.19
Rot. Bonds2

About azane;2-oxalooxysulfonyloxy-2-oxoacetic acid

azane;2-oxalooxysulfonyloxy-2-oxoacetic acid (PubChem CID 174442656) has the molecular formula C4H8N2O10S and a molecular weight of 276.18 g/mol. Its IUPAC name is azane;2-oxalooxysulfonyloxy-2-oxoacetic acid.

Molecular Properties

Compound Nameazane;2-oxalooxysulfonyloxy-2-oxoacetic acid
PubChem CID174442656
Molecular FormulaC4H8N2O10S
Molecular Weight276.18 g/mol
Exact Mass275.99
IUPAC Nameazane;2-oxalooxysulfonyloxy-2-oxoacetic acid
SMILESN.N.O=C(O)C(=O)OS(=O)(=O)OC(=O)C(=O)O
InChIInChI=1S/C4H2O10S.2H3N/c5-1(6)3(9)13-15(11,12)14-4(10)2(7)8;;/h(H,5,6)(H,7,8);2*1H3
InChIKeyHHROQMINAIPVQD-UHFFFAOYSA-N
XLogP-2.19
TPSA231.34 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 5-2.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;azane;hydride;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
CID 173339501
acetic acid;acetyloxycarbonyloxysulfonyloxycarbonyl acetate
CID 174320667
2-iodooxy-2-oxoacetic acid
CID 90996944
2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate
CID 174880543
(2,2,2-trifluoroacetyl)oxysulfonyl 2,2,2-trifluoroacetate
CID 87313156
2-methoxy-2-oxoacetic acid;bis(yttrium)
CID 58923801
2-oxalooxyperoxy-2-oxoacetic acid;dihydrate
CID 141168013
ethane;2-methoxy-2-oxoacetic acid
CID 175061457
cobalt;nickel;2-(2-oxalooxy-2-oxoacetyl)oxy-2-oxoacetic acid
CID 174864025
ethanol;2-hydroxy-2-oxoethaneperoxoate
CID 54675793
CID 170845858
CID 170845858
azane;iron;oxalic acid
CID 87090690

Frequently Asked Questions

What is the IUPAC name of azane;2-oxalooxysulfonyloxy-2-oxoacetic acid?
The IUPAC name of azane;2-oxalooxysulfonyloxy-2-oxoacetic acid (CID 174442656) is azane;2-oxalooxysulfonyloxy-2-oxoacetic acid.
What is the SMILES notation for azane;2-oxalooxysulfonyloxy-2-oxoacetic acid?
The canonical SMILES for azane;2-oxalooxysulfonyloxy-2-oxoacetic acid is N.N.O=C(O)C(=O)OS(=O)(=O)OC(=O)C(=O)O.
What is the InChIKey of azane;2-oxalooxysulfonyloxy-2-oxoacetic acid?
The InChIKey is HHROQMINAIPVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O10S.2H3N/c5-1(6)3(9)13-15(11,12)14-4(10)2(7)8;;/h(H,5,6)(H,7,8);2*1H3.
What are the key properties of azane;2-oxalooxysulfonyloxy-2-oxoacetic acid?
azane;2-oxalooxysulfonyloxy-2-oxoacetic acid has a molecular weight of 276.18 g/mol, XLogP of -2.19, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-oxalooxysulfonyloxy-2-oxoacetic acid is sourced from PubChem (CID 174442656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).