[(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate

C13H21FO5 — CID 165044509

IUPAC[(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate
SMILESCCC(=O)OC1OC(COC(C)=O)[C@@H](F)[C@H](C)C1C
InChIInChI=1S/C13H21FO5/c1-5-11(16)19-13-8(3)7(2)12(14)10(18-13)6-17-9(4)15/h7-8,10,12-13H,5-6H2,1-4H3/t7-,8?,10?,12+,13?/m1/s1
InChIKeyOUKOQWJVZPCZDM-WLROPTIOSA-N
MW276.30 g/mol
LogP1.84
Rot. Bonds4

About [(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate

[(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate (PubChem CID 165044509) has the molecular formula C13H21FO5 and a molecular weight of 276.30 g/mol. Its IUPAC name is [(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate.

Molecular Properties

Compound Name[(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate
PubChem CID165044509
Molecular FormulaC13H21FO5
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name[(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate
SMILESCCC(=O)OC1OC(COC(C)=O)[C@@H](F)[C@H](C)C1C
InChIInChI=1S/C13H21FO5/c1-5-11(16)19-13-8(3)7(2)12(14)10(18-13)6-17-9(4)15/h7-8,10,12-13H,5-6H2,1-4H3/t7-,8?,10?,12+,13?/m1/s1
InChIKeyOUKOQWJVZPCZDM-WLROPTIOSA-N
XLogP1.84
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate?
The IUPAC name of [(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate (CID 165044509) is [(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate.
What is the SMILES notation for [(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate?
The canonical SMILES for [(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate is CCC(=O)OC1OC(COC(C)=O)[C@@H](F)[C@H](C)C1C.
What is the InChIKey of [(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate?
The InChIKey is OUKOQWJVZPCZDM-WLROPTIOSA-N. The full InChI is InChI=1S/C13H21FO5/c1-5-11(16)19-13-8(3)7(2)12(14)10(18-13)6-17-9(4)15/h7-8,10,12-13H,5-6H2,1-4H3/t7-,8?,10?,12+,13?/m1/s1.
What are the key properties of [(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate?
[(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate has a molecular weight of 276.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5S)-6-(acetyloxymethyl)-5-fluoro-3,4-dimethyloxan-2-yl] propanoate is sourced from PubChem (CID 165044509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).