(2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol

C13H15FO5S — CID 88976607

IUPAC(2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](/C=C(/F)S(=O)(=O)c2ccccc2)[C@H](O)C1O
InChIInChI=1S/C13H15FO5S/c1-8-12(15)13(16)10(19-8)7-11(14)20(17,18)9-5-3-2-4-6-9/h2-8,10,12-13,15-16H,1H3/b11-7-/t8-,10+,12?,13-/m0/s1
InChIKeyRAHJGXNRTNXANB-SABUEOQNSA-N
MW302.32 g/mol
LogP0.78
Rot. Bonds3

About (2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol

(2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol (PubChem CID 88976607) has the molecular formula C13H15FO5S and a molecular weight of 302.32 g/mol. Its IUPAC name is (2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol
PubChem CID88976607
Molecular FormulaC13H15FO5S
Molecular Weight302.32 g/mol
Exact Mass302.06
IUPAC Name(2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol
SMILESC[C@@H]1O[C@H](/C=C(/F)S(=O)(=O)c2ccccc2)[C@H](O)C1O
InChIInChI=1S/C13H15FO5S/c1-8-12(15)13(16)10(19-8)7-11(14)20(17,18)9-5-3-2-4-6-9/h2-8,10,12-13,15-16H,1H3/b11-7-/t8-,10+,12?,13-/m0/s1
InChIKeyRAHJGXNRTNXANB-SABUEOQNSA-N
XLogP0.78
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol with MolForge

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Related Compounds

[(2S,3S)-3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol
CID 11184049
3-Phenylsulfonyl-4,4-ethylenedioxycyclopent-2-en-1-ol
CID 12085021
CID 57693470
CID 57693470
(2R,3R,5S)-2-[2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol
CID 70795451
(2R,3S,4R,5R)-2-(benzenesulfonyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 91597627
[3-[(E)-2-(benzenesulfonyl)ethenyl]oxiran-2-yl]methanol
CID 134853764
1-[(2R)-2-(benzenesulfonyl)oxiran-2-yl]ethanol
CID 134986707
(2R,3S,4S)-2-(benzenesulfonylmethyl)oxolane-3,4-diol
CID 134995792
1-Ethoxy-3-(2-fluorophenyl)sulfonylpropan-2-ol
CID 64714996
1-Ethoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 64717111
1-Ethoxy-3-(3-fluorophenyl)sulfonylpropan-2-ol
CID 80059252
1-Butoxy-3-(4-fluorophenyl)sulfonylpropan-2-ol
CID 107264440

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol?
The IUPAC name of (2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol (CID 88976607) is (2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol.
What is the SMILES notation for (2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol?
The canonical SMILES for (2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol is C[C@@H]1O[C@H](/C=C(/F)S(=O)(=O)c2ccccc2)[C@H](O)C1O.
What is the InChIKey of (2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol?
The InChIKey is RAHJGXNRTNXANB-SABUEOQNSA-N. The full InChI is InChI=1S/C13H15FO5S/c1-8-12(15)13(16)10(19-8)7-11(14)20(17,18)9-5-3-2-4-6-9/h2-8,10,12-13,15-16H,1H3/b11-7-/t8-,10+,12?,13-/m0/s1.
What are the key properties of (2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol?
(2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol has a molecular weight of 302.32 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-[(Z)-2-(benzenesulfonyl)-2-fluoroethenyl]-5-methyloxolane-3,4-diol is sourced from PubChem (CID 88976607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).