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

C12H19FN2O5 — CID 156582325

IUPAC[(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate
SMILESCC(=O)N[C@H]1[C@@H](OC(C)=O)O[C@H](C)[C@@H](NC(C)=O)[C@@H]1F
InChIInChI=1S/C12H19FN2O5/c1-5-10(14-6(2)16)9(13)11(15-7(3)17)12(19-5)20-8(4)18/h5,9-12H,1-4H3,(H,14,16)(H,15,17)/t5-,9+,10-,11-,12-/m1/s1
InChIKeyJWSCPNNAFMMGLY-BKPRMLKUSA-N
MW290.29 g/mol
LogP-0.36
Rot. Bonds3

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

[(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate (PubChem CID 156582325) has the molecular formula C12H19FN2O5 and a molecular weight of 290.29 g/mol. Its IUPAC name is [(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate
PubChem CID156582325
Molecular FormulaC12H19FN2O5
Molecular Weight290.29 g/mol
Exact Mass290.13
IUPAC Name[(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate
SMILESCC(=O)N[C@H]1[C@@H](OC(C)=O)O[C@H](C)[C@@H](NC(C)=O)[C@@H]1F
InChIInChI=1S/C12H19FN2O5/c1-5-10(14-6(2)16)9(13)11(15-7(3)17)12(19-5)20-8(4)18/h5,9-12H,1-4H3,(H,14,16)(H,15,17)/t5-,9+,10-,11-,12-/m1/s1
InChIKeyJWSCPNNAFMMGLY-BKPRMLKUSA-N
XLogP-0.36
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate?
The IUPAC name of [(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate (CID 156582325) is [(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate.
What is the SMILES notation for [(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate?
The canonical SMILES for [(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate is CC(=O)N[C@H]1[C@@H](OC(C)=O)O[C@H](C)[C@@H](NC(C)=O)[C@@H]1F.
What is the InChIKey of [(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate?
The InChIKey is JWSCPNNAFMMGLY-BKPRMLKUSA-N. The full InChI is InChI=1S/C12H19FN2O5/c1-5-10(14-6(2)16)9(13)11(15-7(3)17)12(19-5)20-8(4)18/h5,9-12H,1-4H3,(H,14,16)(H,15,17)/t5-,9+,10-,11-,12-/m1/s1.
What are the key properties of [(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate?
[(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate has a molecular weight of 290.29 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate is sourced from PubChem (CID 156582325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).