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

C8H11FO6S — CID 175037073

IUPAC[(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate
SMILESCOC(=O)O[C@@H]1[C@H](OC(C)=O)SC(O)[C@H]1F
InChIInChI=1S/C8H11FO6S/c1-3(10)14-7-5(15-8(12)13-2)4(9)6(11)16-7/h4-7,11H,1-2H3/t4-,5-,6?,7+/m0/s1
InChIKeyHHBHTUATNPORMO-WJCGWMGPSA-N
MW254.23 g/mol
LogP0.43
Rot. Bonds2

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

[(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate (PubChem CID 175037073) has the molecular formula C8H11FO6S and a molecular weight of 254.23 g/mol. Its IUPAC name is [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate
PubChem CID175037073
Molecular FormulaC8H11FO6S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name[(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate
SMILESCOC(=O)O[C@@H]1[C@H](OC(C)=O)SC(O)[C@H]1F
InChIInChI=1S/C8H11FO6S/c1-3(10)14-7-5(15-8(12)13-2)4(9)6(11)16-7/h4-7,11H,1-2H3/t4-,5-,6?,7+/m0/s1
InChIKeyHHBHTUATNPORMO-WJCGWMGPSA-N
XLogP0.43
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate?
The IUPAC name of [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate (CID 175037073) is [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate.
What is the SMILES notation for [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate?
The canonical SMILES for [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate is COC(=O)O[C@@H]1[C@H](OC(C)=O)SC(O)[C@H]1F.
What is the InChIKey of [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate?
The InChIKey is HHBHTUATNPORMO-WJCGWMGPSA-N. The full InChI is InChI=1S/C8H11FO6S/c1-3(10)14-7-5(15-8(12)13-2)4(9)6(11)16-7/h4-7,11H,1-2H3/t4-,5-,6?,7+/m0/s1.
What are the key properties of [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate?
[(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate has a molecular weight of 254.23 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl] acetate is sourced from PubChem (CID 175037073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).