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

C7H13FO3S — CID 89349089

IUPAC(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol
SMILESCOCC1S[C@H](CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C7H13FO3S/c1-11-3-5-6(8)7(10)4(2-9)12-5/h4-7,9-10H,2-3H2,1H3/t4-,5?,6-,7-/m1/s1
InChIKeyRFBGMFMARYFSOO-GFEXSSHISA-N
MW196.24 g/mol
LogP-0.19
Rot. Bonds3

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

(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol (PubChem CID 89349089) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol
PubChem CID89349089
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol
SMILESCOCC1S[C@H](CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C7H13FO3S/c1-11-3-5-6(8)7(10)4(2-9)12-5/h4-7,9-10H,2-3H2,1H3/t4-,5?,6-,7-/m1/s1
InChIKeyRFBGMFMARYFSOO-GFEXSSHISA-N
XLogP-0.19
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S,5R)-3-fluoro-5-(hydroxymethyl)thiolane-2,4-diol
CID 118119140
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-methoxythiane-3,4,5-triol
CID 102166355
2-(methoxymethyl)-3-methylthiirane
CID 59782905
(2S,4R,5R)-4-methoxy-5-(methoxymethyl)-2-methylthiolan-3-ol
CID 165022353
(2S,3S,4S,5S)-5-(hydroxymethyl)thiolane-2,3,4-triol
CID 57056328
CID 154603491
CID 154603491
[(3R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)thiolan-3-yl] hypofluorite
CID 67739794
(2R,3S,4R)-2-(hydroxymethyl)-5-[(2S)-2-iodopropyl]thiolane-3,4-diol
CID 163826921
(4S,5R)-4-hydroxy-2-methoxy-5-(methoxymethyl)thiolan-3-one
CID 118336573
[(2S,3S)-3-aminothiiran-2-yl]methanol
CID 155928425
(4R,5S)-2-(hydroxymethyl)-6-(methoxymethyl)-4-methyloxane-3,5-diol
CID 90293180
(2R,3R,4S,5R)-4-(18F)fluoro-2-(hydroxymethyl)-6-methoxyoxane-3,5-diol
CID 15949243

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol?
The IUPAC name of (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol (CID 89349089) is (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol.
What is the SMILES notation for (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol?
The canonical SMILES for (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol is COCC1S[C@H](CO)[C@@H](O)[C@@H]1F.
What is the InChIKey of (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol?
The InChIKey is RFBGMFMARYFSOO-GFEXSSHISA-N. The full InChI is InChI=1S/C7H13FO3S/c1-11-3-5-6(8)7(10)4(2-9)12-5/h4-7,9-10H,2-3H2,1H3/t4-,5?,6-,7-/m1/s1.
What are the key properties of (2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol?
(2R,3S,4S)-4-fluoro-2-(hydroxymethyl)-5-(methoxymethyl)thiolan-3-ol has a molecular weight of 196.24 g/mol, XLogP of -0.19, 3 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-(methoxymethyl)thiolan-3-ol is sourced from PubChem (CID 89349089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).