(2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol

C11H14O5S — CID 134995792

IUPAC(2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol
SMILESO=S(=O)(C[C@@H]1OC[C@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C11H14O5S/c12-9-6-16-10(11(9)13)7-17(14,15)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-,11-/m0/s1
InChIKeyWCUOTNDXMVXIPE-DCAQKATOSA-N
MW258.29 g/mol
LogP-0.42
Rot. Bonds3

About (2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol

(2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol (PubChem CID 134995792) has the molecular formula C11H14O5S and a molecular weight of 258.29 g/mol. Its IUPAC name is (2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol
PubChem CID134995792
Molecular FormulaC11H14O5S
Molecular Weight258.29 g/mol
Exact Mass258.06
IUPAC Name(2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol
SMILESO=S(=O)(C[C@@H]1OC[C@H](O)[C@@H]1O)c1ccccc1
InChIInChI=1S/C11H14O5S/c12-9-6-16-10(11(9)13)7-17(14,15)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-,11-/m0/s1
InChIKeyWCUOTNDXMVXIPE-DCAQKATOSA-N
XLogP-0.42
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2R,3S,5R)-2-(benzenesulfonyl)-6-oxabicyclo[3.1.0]hexan-3-ol
CID 340332
(3R,4S,5S)-5-[(4-fluorophenyl)sulfanylmethyl]oxolane-2,3,4-triol
CID 46875261
(3R,4S,5S)-5-[(4-iodophenyl)sulfanylmethyl]oxolane-2,3,4-triol
CID 46875291
2-Propanol, 1-(phenylsulfonyl)-, (S)-
CID 11127286
beta-D-Glucofuranoside, phenyl 1-thio-
CID 57147889
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(phenylsulfanylmethyl)oxolane-3,4-diol
CID 46875436
2-[2-(Benzenesulfonyl)-2-fluoroethyl]-1,4-dioxane
CID 14593287
(3S,4S,2R,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479977
(2S,3S,4S,5R)-5-(Hydroxymethyl)-2-(phenylthiomethyl)oxolane-3,4-diol
CID 479994
1-(Benzenesulfonyl)propan-2-ol
CID 547258
4-(Benzenesulfonyl)-6-oxabicyclo[3.1.0]hexan-3-ol
CID 494298
3-(Benzenesulfonyl)cyclobutan-1-ol
CID 12442438

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol (CID 134995792) is (2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol is O=S(=O)(C[C@@H]1OC[C@H](O)[C@@H]1O)c1ccccc1.
What is the InChIKey of (2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol?
The InChIKey is WCUOTNDXMVXIPE-DCAQKATOSA-N. The full InChI is InChI=1S/C11H14O5S/c12-9-6-16-10(11(9)13)7-17(14,15)8-4-2-1-3-5-8/h1-5,9-13H,6-7H2/t9-,10-,11-/m0/s1.
What are the key properties of (2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol?
(2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol has a molecular weight of 258.29 g/mol, XLogP of -0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol is sourced from PubChem (CID 134995792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).