magnesium oxidooxycarbonyl sulfate

CMgO7S — CID 87368845

IUPACmagnesium oxidooxycarbonyl sulfate
SMILESO=C(O[O-])OS(=O)(=O)[O-].[Mg+2]
InChIInChI=1S/CH2O7S.Mg/c2-1(7-3)8-9(4,5)6;/h3H,(H,4,5,6);/q;+2/p-2
InChIKeyFZWYEBHRWLLOSS-UHFFFAOYSA-L
MW180.38 g/mol
LogP-2.51
Rot. Bonds1

About magnesium oxidooxycarbonyl sulfate

magnesium oxidooxycarbonyl sulfate (PubChem CID 87368845) has the molecular formula CMgO7S and a molecular weight of 180.38 g/mol. Its IUPAC name is magnesium oxidooxycarbonyl sulfate.

Molecular Properties

Compound Namemagnesium oxidooxycarbonyl sulfate
PubChem CID87368845
Molecular FormulaCMgO7S
Molecular Weight180.38 g/mol
Exact Mass179.92
IUPAC Namemagnesium oxidooxycarbonyl sulfate
SMILESO=C(O[O-])OS(=O)(=O)[O-].[Mg+2]
InChIInChI=1S/CH2O7S.Mg/c2-1(7-3)8-9(4,5)6;/h3H,(H,4,5,6);/q;+2/p-2
InChIKeyFZWYEBHRWLLOSS-UHFFFAOYSA-L
XLogP-2.51
TPSA115.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.38
LogP ≤ 5-2.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'sulphate', 'substructure': 'N/A'}

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Related Compounds

1-sulfonatooxyethenyl sulfate
CID 22162560
copper;magnesium;hydroxy sulfate
CID 175067700
(Z)-3-chloro-2-sulfonatooxyprop-2-enoate
CID 59863753
magnesium;iron(3+);oxido hydrogen carbonate
CID 173050087
cesium hydroxy sulfate
CID 161129276
potassium hydroxy sulfate
CID 23712892
sodium 3-methylbutanoyl sulfate
CID 174781395
(2S)-2-sulfonatooxypropanoate
CID 25200888
CID 71350371
CID 71350371
aluminum;lithium;hydroxy sulfate;hydrate
CID 158565872
oxidooxy sulfate
CID 135037388
sulfonato sulfate;bis(tetramethylphosphanium)
CID 174869555

Frequently Asked Questions

What is the IUPAC name of magnesium oxidooxycarbonyl sulfate?
The IUPAC name of magnesium oxidooxycarbonyl sulfate (CID 87368845) is magnesium oxidooxycarbonyl sulfate.
What is the SMILES notation for magnesium oxidooxycarbonyl sulfate?
The canonical SMILES for magnesium oxidooxycarbonyl sulfate is O=C(O[O-])OS(=O)(=O)[O-].[Mg+2].
What is the InChIKey of magnesium oxidooxycarbonyl sulfate?
The InChIKey is FZWYEBHRWLLOSS-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2O7S.Mg/c2-1(7-3)8-9(4,5)6;/h3H,(H,4,5,6);/q;+2/p-2.
What are the key properties of magnesium oxidooxycarbonyl sulfate?
magnesium oxidooxycarbonyl sulfate has a molecular weight of 180.38 g/mol, XLogP of -2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium oxidooxycarbonyl sulfate is sourced from PubChem (CID 87368845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).