[(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate

C12H19FO5 — CID 167552822

IUPAC[(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](F)[C@@H]1C
InChIInChI=1S/C12H19FO5/c1-5-9-6(2)10(13)11(16-7(3)14)12(18-9)17-8(4)15/h6,9-12H,5H2,1-4H3/t6-,9-,10+,11-,12?/m1/s1
InChIKeyJGUDZPZFGLCSOH-DAANGDBZSA-N
MW262.28 g/mol
LogP1.59
Rot. Bonds3

About [(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate

[(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate (PubChem CID 167552822) has the molecular formula C12H19FO5 and a molecular weight of 262.28 g/mol. Its IUPAC name is [(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate
PubChem CID167552822
Molecular FormulaC12H19FO5
Molecular Weight262.28 g/mol
Exact Mass262.12
IUPAC Name[(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate
SMILESCC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](F)[C@@H]1C
InChIInChI=1S/C12H19FO5/c1-5-9-6(2)10(13)11(16-7(3)14)12(18-9)17-8(4)15/h6,9-12H,5H2,1-4H3/t6-,9-,10+,11-,12?/m1/s1
InChIKeyJGUDZPZFGLCSOH-DAANGDBZSA-N
XLogP1.59
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate?
The IUPAC name of [(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate (CID 167552822) is [(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate.
What is the SMILES notation for [(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate?
The canonical SMILES for [(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate is CC[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](F)[C@@H]1C.
What is the InChIKey of [(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate?
The InChIKey is JGUDZPZFGLCSOH-DAANGDBZSA-N. The full InChI is InChI=1S/C12H19FO5/c1-5-9-6(2)10(13)11(16-7(3)14)12(18-9)17-8(4)15/h6,9-12H,5H2,1-4H3/t6-,9-,10+,11-,12?/m1/s1.
What are the key properties of [(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate?
[(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate has a molecular weight of 262.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S,5R,6R)-2-acetyloxy-6-ethyl-4-fluoro-5-methyloxan-3-yl] acetate is sourced from PubChem (CID 167552822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).