peroxyformic acid;sulfooxy hydrogen sulfate

CH4O11S2 — CID 174430614

IUPACperoxyformic acid;sulfooxy hydrogen sulfate
SMILESO=COO.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/CH2O3.H2O8S2/c2-1-4-3;1-9(2,3)7-8-10(4,5)6/h1,3H;(H,1,2,3)(H,4,5,6)
InChIKeyPPHZHOLEIUBMSP-UHFFFAOYSA-N
MW256.17 g/mol
LogP-1.83
Rot. Bonds4

About peroxyformic acid;sulfooxy hydrogen sulfate

peroxyformic acid;sulfooxy hydrogen sulfate (PubChem CID 174430614) has the molecular formula CH4O11S2 and a molecular weight of 256.17 g/mol. Its IUPAC name is peroxyformic acid;sulfooxy hydrogen sulfate.

Molecular Properties

Compound Nameperoxyformic acid;sulfooxy hydrogen sulfate
PubChem CID174430614
Molecular FormulaCH4O11S2
Molecular Weight256.17 g/mol
Exact Mass255.92
IUPAC Nameperoxyformic acid;sulfooxy hydrogen sulfate
SMILESO=COO.O=S(=O)(O)OOS(=O)(=O)O
InChIInChI=1S/CH2O3.H2O8S2/c2-1-4-3;1-9(2,3)7-8-10(4,5)6/h1,3H;(H,1,2,3)(H,4,5,6)
InChIKeyPPHZHOLEIUBMSP-UHFFFAOYSA-N
XLogP-1.83
TPSA173.73 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

sulfooxy hydrogen sulfate
CID 24413
sulfooxy hydrogen sulfate;hydrobromide
CID 172791848
sodium;sulfooxy hydrogen sulfate;hydroxide
CID 159457891
azane;sulfooxy hydrogen sulfate;hydrochloride
CID 173178909
potassium;hydride;sulfooxy hydrogen sulfate
CID 175284935
sodium;formaldehyde;hydride;sulfooxy hydrogen sulfate
CID 173280994
hydrogen sulfate;iron(3+);sulfooxy hydrogen sulfate
CID 19609642
methane;molecular hydrogen;peroxyformic acid
CID 159099454
cyclopropane;peroxyformic acid
CID 87410844
prop-2-enoic acid;sulfooxy hydrogen sulfate
CID 174946242
azane;phosphoric acid;sulfooxy hydrogen sulfate
CID 175303783
azane;prop-2-enoic acid;sulfooxy hydrogen sulfate
CID 175090513

Frequently Asked Questions

What is the IUPAC name of peroxyformic acid;sulfooxy hydrogen sulfate?
The IUPAC name of peroxyformic acid;sulfooxy hydrogen sulfate (CID 174430614) is peroxyformic acid;sulfooxy hydrogen sulfate.
What is the SMILES notation for peroxyformic acid;sulfooxy hydrogen sulfate?
The canonical SMILES for peroxyformic acid;sulfooxy hydrogen sulfate is O=COO.O=S(=O)(O)OOS(=O)(=O)O.
What is the InChIKey of peroxyformic acid;sulfooxy hydrogen sulfate?
The InChIKey is PPHZHOLEIUBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.H2O8S2/c2-1-4-3;1-9(2,3)7-8-10(4,5)6/h1,3H;(H,1,2,3)(H,4,5,6).
What are the key properties of peroxyformic acid;sulfooxy hydrogen sulfate?
peroxyformic acid;sulfooxy hydrogen sulfate has a molecular weight of 256.17 g/mol, XLogP of -1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for peroxyformic acid;sulfooxy hydrogen sulfate is sourced from PubChem (CID 174430614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).