(3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol

C7H14O7S — CID 46905198

IUPAC(3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol
SMILESCS(=O)(=O)C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O7S/c1-15(12,13)2-3-4(8)5(9)6(10)7(11)14-3/h3-11H,2H2,1H3/t3-,4+,5+,6-,7?/m1/s1
InChIKeyVUAKEXWBHVCSLA-TVPFVARWSA-N
MW242.25 g/mol
LogP-3.17
Rot. Bonds2

About (3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol

(3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol (PubChem CID 46905198) has the molecular formula C7H14O7S and a molecular weight of 242.25 g/mol. Its IUPAC name is (3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol
PubChem CID46905198
Molecular FormulaC7H14O7S
Molecular Weight242.25 g/mol
Exact Mass242.05
IUPAC Name(3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol
SMILESCS(=O)(=O)C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H14O7S/c1-15(12,13)2-3-4(8)5(9)6(10)7(11)14-3/h3-11H,2H2,1H3/t3-,4+,5+,6-,7?/m1/s1
InChIKeyVUAKEXWBHVCSLA-TVPFVARWSA-N
XLogP-3.17
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 5-3.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol (CID 46905198) is (3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol is CS(=O)(=O)C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol?
The InChIKey is VUAKEXWBHVCSLA-TVPFVARWSA-N. The full InChI is InChI=1S/C7H14O7S/c1-15(12,13)2-3-4(8)5(9)6(10)7(11)14-3/h3-11H,2H2,1H3/t3-,4+,5+,6-,7?/m1/s1.
What are the key properties of (3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol?
(3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol has a molecular weight of 242.25 g/mol, XLogP of -3.17, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R,6S)-6-(methylsulfonylmethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 46905198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).