[(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate

C11H17FO5 — CID 70882716

IUPAC[(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C[C@H](OC(C)=O)[C@@H](F)[C@@H](C)O1
InChIInChI=1S/C11H17FO5/c1-6-11(12)10(17-8(3)14)4-9(16-6)5-15-7(2)13/h6,9-11H,4-5H2,1-3H3/t6-,9+,10+,11+/m1/s1
InChIKeyUIBMEPHCKAIOAL-LFRFXUESSA-N
MW248.25 g/mol
LogP1.00
Rot. Bonds3

About [(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate

[(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate (PubChem CID 70882716) has the molecular formula C11H17FO5 and a molecular weight of 248.25 g/mol. Its IUPAC name is [(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate
PubChem CID70882716
Molecular FormulaC11H17FO5
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name[(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1C[C@H](OC(C)=O)[C@@H](F)[C@@H](C)O1
InChIInChI=1S/C11H17FO5/c1-6-11(12)10(17-8(3)14)4-9(16-6)5-15-7(2)13/h6,9-11H,4-5H2,1-3H3/t6-,9+,10+,11+/m1/s1
InChIKeyUIBMEPHCKAIOAL-LFRFXUESSA-N
XLogP1.00
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate?
The IUPAC name of [(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate (CID 70882716) is [(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate.
What is the SMILES notation for [(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate?
The canonical SMILES for [(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate is CC(=O)OC[C@@H]1C[C@H](OC(C)=O)[C@@H](F)[C@@H](C)O1.
What is the InChIKey of [(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate?
The InChIKey is UIBMEPHCKAIOAL-LFRFXUESSA-N. The full InChI is InChI=1S/C11H17FO5/c1-6-11(12)10(17-8(3)14)4-9(16-6)5-15-7(2)13/h6,9-11H,4-5H2,1-3H3/t6-,9+,10+,11+/m1/s1.
What are the key properties of [(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate?
[(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate has a molecular weight of 248.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S,5S,6R)-4-acetyloxy-5-fluoro-6-methyloxan-2-yl]methyl acetate is sourced from PubChem (CID 70882716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).