2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate

C6H10O8S — CID 174880543

IUPAC2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OS(=O)(=O)OC(=O)C(C)O
InChIInChI=1S/C6H10O8S/c1-3(7)5(9)13-15(11,12)14-6(10)4(2)8/h3-4,7-8H,1-2H3
InChIKeyNEAGXPHAECAIMB-UHFFFAOYSA-N
MW242.20 g/mol
LogP-1.92
Rot. Bonds4

About 2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate

2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate (PubChem CID 174880543) has the molecular formula C6H10O8S and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate.

Molecular Properties

Compound Name2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate
PubChem CID174880543
Molecular FormulaC6H10O8S
Molecular Weight242.20 g/mol
Exact Mass242.01
IUPAC Name2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate
SMILESCC(O)C(=O)OS(=O)(=O)OC(=O)C(C)O
InChIInChI=1S/C6H10O8S/c1-3(7)5(9)13-15(11,12)14-6(10)4(2)8/h3-4,7-8H,1-2H3
InChIKeyNEAGXPHAECAIMB-UHFFFAOYSA-N
XLogP-1.92
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxypropanoylperoxysulfonyl 2-hydroxypropaneperoxoate
CID 139780500
3-aminopropylsulfonyl 2-hydroxypropanoate;ethane-1,2-diamine
CID 175285928
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
trimethylplumbyl 2-hydroxypropanoate
CID 16683262
bis[[(2S)-2-hydroxypropanoyl]oxy]phosphanyl (2S)-2-hydroxypropanoate
CID 171569481
calcium;alumane;hydride;2-hydroxypropanoyl 2-hydroxypropanoate
CID 173336900
calcium;amino 2-hydroxypropanoate;hydride
CID 173433057
[(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]oxysulfonyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 174384269
ethyl 2-hydroxypropanoate;sulfane
CID 162209332

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate?
The IUPAC name of 2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate (CID 174880543) is 2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate.
What is the SMILES notation for 2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate?
The canonical SMILES for 2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate is CC(O)C(=O)OS(=O)(=O)OC(=O)C(C)O.
What is the InChIKey of 2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate?
The InChIKey is NEAGXPHAECAIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O8S/c1-3(7)5(9)13-15(11,12)14-6(10)4(2)8/h3-4,7-8H,1-2H3.
What are the key properties of 2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate?
2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate has a molecular weight of 242.20 g/mol, XLogP of -1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoyloxysulfonyl 2-hydroxypropanoate is sourced from PubChem (CID 174880543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).