(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol

C6H11FO3S — CID 58320970

IUPAC(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol
SMILESCOC1S[C@H](CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C6H11FO3S/c1-10-6-4(7)5(9)3(2-8)11-6/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6?/m1/s1
InChIKeyAJKHMRWHQIXJCQ-IANNHFEVSA-N
MW182.22 g/mol
LogP-0.23
Rot. Bonds2

About (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol

(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol (PubChem CID 58320970) has the molecular formula C6H11FO3S and a molecular weight of 182.22 g/mol. Its IUPAC name is (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol
PubChem CID58320970
Molecular FormulaC6H11FO3S
Molecular Weight182.22 g/mol
Exact Mass182.04
IUPAC Name(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol
SMILESCOC1S[C@H](CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C6H11FO3S/c1-10-6-4(7)5(9)3(2-8)11-6/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6?/m1/s1
InChIKeyAJKHMRWHQIXJCQ-IANNHFEVSA-N
XLogP-0.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol?
The IUPAC name of (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol (CID 58320970) is (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol.
What is the SMILES notation for (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol?
The canonical SMILES for (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol is COC1S[C@H](CO)[C@@H](O)[C@@H]1F.
What is the InChIKey of (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol?
The InChIKey is AJKHMRWHQIXJCQ-IANNHFEVSA-N. The full InChI is InChI=1S/C6H11FO3S/c1-10-6-4(7)5(9)3(2-8)11-6/h3-6,8-9H,2H2,1H3/t3-,4+,5-,6?/m1/s1.
What are the key properties of (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol?
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol has a molecular weight of 182.22 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-methoxythiolan-3-ol is sourced from PubChem (CID 58320970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).