2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate

C6H10O10S — CID 139780500

IUPAC2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate
SMILESCC(O)C(=O)OOS(=O)(=O)OOC(=O)C(C)O
InChIInChI=1S/C6H10O10S/c1-3(7)5(9)13-15-17(11,12)16-14-6(10)4(2)8/h3-4,7-8H,1-2H3
InChIKeyYXOMQSGGYPEBAT-UHFFFAOYSA-N
MW274.20 g/mol
LogP-2.06
Rot. Bonds6

About 2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate

2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate (PubChem CID 139780500) has the molecular formula C6H10O10S and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate.

Molecular Properties

Compound Name2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate
PubChem CID139780500
Molecular FormulaC6H10O10S
Molecular Weight274.20 g/mol
Exact Mass274.00
IUPAC Name2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate
SMILESCC(O)C(=O)OOS(=O)(=O)OOC(=O)C(C)O
InChIInChI=1S/C6H10O10S/c1-3(7)5(9)13-15-17(11,12)16-14-6(10)4(2)8/h3-4,7-8H,1-2H3
InChIKeyYXOMQSGGYPEBAT-UHFFFAOYSA-N
XLogP-2.06
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate
CID 174880543
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
propyl 2-hydroxypropaneperoxoate
CID 91194019
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methanol;methyl 2-hydroxypropanoate
CID 157321309
trimethylplumbyl 2-hydroxypropanoate
CID 16683262
3-methylbutyl 2-hydroxypropaneperoxoate
CID 91454060
calcium;amino 2-hydroxypropanoate;hydride
CID 173433057
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate
CID 171569481
2-hydroxypropanoyl 4-(2-hydroxypropanoylperoxy)-4-oxobutanoate
CID 154267844

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate?
The IUPAC name of 2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate (CID 139780500) is 2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate.
What is the SMILES notation for 2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate?
The canonical SMILES for 2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate is CC(O)C(=O)OOS(=O)(=O)OOC(=O)C(C)O.
What is the InChIKey of 2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate?
The InChIKey is YXOMQSGGYPEBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O10S/c1-3(7)5(9)13-15-17(11,12)16-14-6(10)4(2)8/h3-4,7-8H,1-2H3.
What are the key properties of 2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate?
2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate has a molecular weight of 274.20 g/mol, XLogP of -2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate is sourced from PubChem (CID 139780500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).