(3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol

C8H16O6S — CID 167491186

IUPAC(3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol
SMILESCS(=O)(=O)CC[C@@H]1C[C@H](O)[C@H](O)C(O)O1
InChIInChI=1S/C8H16O6S/c1-15(12,13)3-2-5-4-6(9)7(10)8(11)14-5/h5-11H,2-4H2,1H3/t5-,6+,7+,8?/m1/s1
InChIKeyACXUMYSPRVTRQB-JXMHAVLCSA-N
MW240.28 g/mol
LogP-1.75
Rot. Bonds3

About (3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol

(3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol (PubChem CID 167491186) has the molecular formula C8H16O6S and a molecular weight of 240.28 g/mol. Its IUPAC name is (3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol.

Molecular Properties

Compound Name(3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol
PubChem CID167491186
Molecular FormulaC8H16O6S
Molecular Weight240.28 g/mol
Exact Mass240.07
IUPAC Name(3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol
SMILESCS(=O)(=O)CC[C@@H]1C[C@H](O)[C@H](O)C(O)O1
InChIInChI=1S/C8H16O6S/c1-15(12,13)3-2-5-4-6(9)7(10)8(11)14-5/h5-11H,2-4H2,1H3/t5-,6+,7+,8?/m1/s1
InChIKeyACXUMYSPRVTRQB-JXMHAVLCSA-N
XLogP-1.75
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol?
The IUPAC name of (3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol (CID 167491186) is (3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol.
What is the SMILES notation for (3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol?
The canonical SMILES for (3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol is CS(=O)(=O)CC[C@@H]1C[C@H](O)[C@H](O)C(O)O1.
What is the InChIKey of (3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol?
The InChIKey is ACXUMYSPRVTRQB-JXMHAVLCSA-N. The full InChI is InChI=1S/C8H16O6S/c1-15(12,13)3-2-5-4-6(9)7(10)8(11)14-5/h5-11H,2-4H2,1H3/t5-,6+,7+,8?/m1/s1.
What are the key properties of (3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol?
(3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol has a molecular weight of 240.28 g/mol, XLogP of -1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6S)-6-(2-methylsulfonylethyl)oxane-2,3,4-triol is sourced from PubChem (CID 167491186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).