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

C8H16O7S — CID 42627167

IUPAC(2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O7S/c1-2-16(13,14)8-7(12)6(11)5(10)4(3-9)15-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
InChIKeyOFMOVPVQFRZDRQ-CBQIKETKSA-N
MW256.28 g/mol
LogP-2.78
Rot. Bonds3

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

(2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 42627167) has the molecular formula C8H16O7S and a molecular weight of 256.28 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID42627167
Molecular FormulaC8H16O7S
Molecular Weight256.28 g/mol
Exact Mass256.06
IUPAC Name(2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C8H16O7S/c1-2-16(13,14)8-7(12)6(11)5(10)4(3-9)15-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
InChIKeyOFMOVPVQFRZDRQ-CBQIKETKSA-N
XLogP-2.78
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 5-2.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol (CID 42627167) is (2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol is CCS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is OFMOVPVQFRZDRQ-CBQIKETKSA-N. The full InChI is InChI=1S/C8H16O7S/c1-2-16(13,14)8-7(12)6(11)5(10)4(3-9)15-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 256.28 g/mol, XLogP of -2.78, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-2-ethylsulfonyl-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 42627167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).