(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol

C7H14O7S — CID 70361694

IUPAC(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol
SMILESCS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O7S/c1-15(12,13)7-6(11)5(10)4(9)3(2-8)14-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
InChIKeyUSEGKTXSKVZOQI-VEIUFWFVSA-N
MW242.25 g/mol
LogP-3.17
Rot. Bonds2

About (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol

(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol (PubChem CID 70361694) has the molecular formula C7H14O7S and a molecular weight of 242.25 g/mol. Its IUPAC name is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol
PubChem CID70361694
Molecular FormulaC7H14O7S
Molecular Weight242.25 g/mol
Exact Mass242.05
IUPAC Name(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol
SMILESCS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O7S/c1-15(12,13)7-6(11)5(10)4(9)3(2-8)14-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
InChIKeyUSEGKTXSKVZOQI-VEIUFWFVSA-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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Related Compounds

(2R,3S,4S,5S,6R)-2-hexylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46894459
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797
(2R,3S,5S,6R)-2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 146048165
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-methylphenyl)sulfonyloxane-3,4,5-triol
CID 131866199
(2S,3S,4S,5R)-2-dodecylsulfonyl-5-(hydroxymethyl)oxolane-3,4-diol
CID 42632361
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3R,4R,5R,6S)-2-benzylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122218451
(2S,3R,4S,5S,6R)-2-[(2R,3S,5R,6R)-5,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]sulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10915727
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol (CID 70361694) is (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol is CS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol?
The InChIKey is USEGKTXSKVZOQI-VEIUFWFVSA-N. The full InChI is InChI=1S/C7H14O7S/c1-15(12,13)7-6(11)5(10)4(9)3(2-8)14-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1.
What are the key properties of (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol?
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol 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 (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methylsulfonyloxane-3,4,5-triol is sourced from PubChem (CID 70361694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).