[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate

C7H11FO4S — CID 10560371

IUPAC[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate
SMILESCC(=O)OC1S[C@H](CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C7H11FO4S/c1-3(10)12-7-5(8)6(11)4(2-9)13-7/h4-7,9,11H,2H2,1H3/t4-,5+,6-,7?/m1/s1
InChIKeyIFXYWRZTVLGCFP-JFRCYRBUSA-N
MW210.23 g/mol
LogP-0.32
Rot. Bonds2

About [(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate

[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate (PubChem CID 10560371) has the molecular formula C7H11FO4S and a molecular weight of 210.23 g/mol. Its IUPAC name is [(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate.

Molecular Properties

Compound Name[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate
PubChem CID10560371
Molecular FormulaC7H11FO4S
Molecular Weight210.23 g/mol
Exact Mass210.04
IUPAC Name[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate
SMILESCC(=O)OC1S[C@H](CO)[C@@H](O)[C@@H]1F
InChIInChI=1S/C7H11FO4S/c1-3(10)12-7-5(8)6(11)4(2-9)13-7/h4-7,9,11H,2H2,1H3/t4-,5+,6-,7?/m1/s1
InChIKeyIFXYWRZTVLGCFP-JFRCYRBUSA-N
XLogP-0.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate?
The IUPAC name of [(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate (CID 10560371) is [(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate.
What is the SMILES notation for [(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate?
The canonical SMILES for [(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate is CC(=O)OC1S[C@H](CO)[C@@H](O)[C@@H]1F.
What is the InChIKey of [(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate?
The InChIKey is IFXYWRZTVLGCFP-JFRCYRBUSA-N. The full InChI is InChI=1S/C7H11FO4S/c1-3(10)12-7-5(8)6(11)4(2-9)13-7/h4-7,9,11H,2H2,1H3/t4-,5+,6-,7?/m1/s1.
What are the key properties of [(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate?
[(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate has a molecular weight of 210.23 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl] acetate is sourced from PubChem (CID 10560371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).