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

C12H19FN2O5 — CID 156582327

IUPAC[(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate
SMILESCC(=O)N[C@@H]1[C@H](F)[C@@H](NC(C)=O)C(OC(C)=O)O[C@@H]1C
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-JPBJFVTKSA-N
MW290.29 g/mol
LogP-0.36
Rot. Bonds3

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

[(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate (PubChem CID 156582327) has the molecular formula C12H19FN2O5 and a molecular weight of 290.29 g/mol. Its IUPAC name is [(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate.

Molecular Properties

Compound Name[(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate
PubChem CID156582327
Molecular FormulaC12H19FN2O5
Molecular Weight290.29 g/mol
Exact Mass290.13
IUPAC Name[(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate
SMILESCC(=O)N[C@@H]1[C@H](F)[C@@H](NC(C)=O)C(OC(C)=O)O[C@@H]1C
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-JPBJFVTKSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

GlyTouCan:G73242AZ
CID 44123487
2,4-diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose
CID 52940203
Glucose, 2-deoxy-2-(fluoroacetamido)-1,3,4,6-tetra-O-acetyl-, beta-D-
CID 215218
beta-D-Galactopyranose, 2-deoxy-2-((2-fluoroacetyl)amino)-, 1,3,4,6-tetraacetate
CID 3052159
2,4-diacetamido-2,4,6-trideoxy-beta-L-altrose
CID 56927717
GlyTouCan:G39180NX
CID 49866671
2,4-diacetamido-2,4,6-trideoxy-beta-L-gulopyranose
CID 102514922
[3,4,6-Triacetyloxy-5-[(2-fluoroacetyl)amino]oxan-2-yl]methyl acetate
CID 12896790
N-[(2R,3S,5R)-5-amino-4-hydroxy-2-methoxy-6-methyloxan-3-yl]acetamide
CID 44306854
[(2S,3S,4R,5R,6R)-5-acetyloxy-6-methoxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 11132051
[(2S,3S,4R,5R,6S)-5-acetamido-4,6-diacetyloxy-2-(fluoromethyl)oxan-3-yl] acetate
CID 21731186
GlyTouCan:G68018UO
CID 77274357

Frequently Asked Questions

What is the IUPAC name of [(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate?
The IUPAC name of [(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate (CID 156582327) is [(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate.
What is the SMILES notation for [(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate?
The canonical SMILES for [(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate is CC(=O)N[C@@H]1[C@H](F)[C@@H](NC(C)=O)C(OC(C)=O)O[C@@H]1C.
What is the InChIKey of [(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate?
The InChIKey is JWSCPNNAFMMGLY-JPBJFVTKSA-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 [(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate?
[(3S,4S,5S,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 [(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate is sourced from PubChem (CID 156582327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).