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

C9H13FO6S — CID 141485971

IUPAC[(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate
SMILESCOC(=O)O[C@H]1[C@H](F)C(O)S[C@@H]1COC(C)=O
InChIInChI=1S/C9H13FO6S/c1-4(11)15-3-5-7(16-9(13)14-2)6(10)8(12)17-5/h5-8,12H,3H2,1-2H3/t5-,6+,7-,8?/m1/s1
InChIKeyBSZJUCDVKDGTJY-MOMMNUENSA-N
MW268.26 g/mol
LogP0.47
Rot. Bonds3

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

[(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate (PubChem CID 141485971) has the molecular formula C9H13FO6S and a molecular weight of 268.26 g/mol. Its IUPAC name is [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate
PubChem CID141485971
Molecular FormulaC9H13FO6S
Molecular Weight268.26 g/mol
Exact Mass268.04
IUPAC Name[(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate
SMILESCOC(=O)O[C@H]1[C@H](F)C(O)S[C@@H]1COC(C)=O
InChIInChI=1S/C9H13FO6S/c1-4(11)15-3-5-7(16-9(13)14-2)6(10)8(12)17-5/h5-8,12H,3H2,1-2H3/t5-,6+,7-,8?/m1/s1
InChIKeyBSZJUCDVKDGTJY-MOMMNUENSA-N
XLogP0.47
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.47
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]methyl acetate?
The IUPAC name of [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate (CID 141485971) is [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate is COC(=O)O[C@H]1[C@H](F)C(O)S[C@@H]1COC(C)=O.
What is the InChIKey of [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate?
The InChIKey is BSZJUCDVKDGTJY-MOMMNUENSA-N. The full InChI is InChI=1S/C9H13FO6S/c1-4(11)15-3-5-7(16-9(13)14-2)6(10)8(12)17-5/h5-8,12H,3H2,1-2H3/t5-,6+,7-,8?/m1/s1.
What are the key properties of [(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate?
[(2R,3S,4S)-4-fluoro-5-hydroxy-3-methoxycarbonyloxythiolan-2-yl]methyl acetate has a molecular weight of 268.26 g/mol, XLogP of 0.47, 3 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]methyl acetate is sourced from PubChem (CID 141485971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).