[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate

C14H23FO6 — CID 10590753

IUPAC[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](F)[C@H](OC(C)(C)C)O[C@@H](C)[C@H]1OC(C)=O
InChIInChI=1S/C14H23FO6/c1-7-11(19-8(2)16)12(20-9(3)17)10(15)13(18-7)21-14(4,5)6/h7,10-13H,1-6H3/t7-,10-,11+,12-,13-/m0/s1
InChIKeyGTPDRWPEIWCILO-YRWHGZIBSA-N
MW306.33 g/mol
LogP1.75
Rot. Bonds3

About [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate

[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate (PubChem CID 10590753) has the molecular formula C14H23FO6 and a molecular weight of 306.33 g/mol. Its IUPAC name is [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate
PubChem CID10590753
Molecular FormulaC14H23FO6
Molecular Weight306.33 g/mol
Exact Mass306.15
IUPAC Name[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate
SMILESCC(=O)O[C@H]1[C@H](F)[C@H](OC(C)(C)C)O[C@@H](C)[C@H]1OC(C)=O
InChIInChI=1S/C14H23FO6/c1-7-11(19-8(2)16)12(20-9(3)17)10(15)13(18-7)21-14(4,5)6/h7,10-13H,1-6H3/t7-,10-,11+,12-,13-/m0/s1
InChIKeyGTPDRWPEIWCILO-YRWHGZIBSA-N
XLogP1.75
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate with MolForge

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Related Compounds

[(2S,3S,4R,5R,6R)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate
CID 23234522
[(2S,3S,4R,5R,6S)-4-acetyloxy-5,6-difluoro-2-methyloxan-3-yl] acetate
CID 23234523
[(2R,3S,4S,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 70178929
[(2R,3R,4R,5R)-4,5-diacetyloxy-2-methyloxolan-3-yl] acetate
CID 34174531
[(3S,4S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70841955
[(3R,4S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 71196175
[(5S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 126692010
[(2S,4S,5S,6S)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 44629963
[(2S,3S,5R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70923261
[(2R,3S,4R,5R,6R)-4,5,6-triacetyloxy-2-methyloxan-3-yl] acetate
CID 70005151
[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-fluoro-2-methyloxan-3-yl] acetate
CID 124525156
[(2R,3S,4S,5R)-4,5-diacetyloxy-6-bromooxy-2-methyloxan-3-yl] acetate
CID 69342653

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate?
The IUPAC name of [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate (CID 10590753) is [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate.
What is the SMILES notation for [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate?
The canonical SMILES for [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate is CC(=O)O[C@H]1[C@H](F)[C@H](OC(C)(C)C)O[C@@H](C)[C@H]1OC(C)=O.
What is the InChIKey of [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate?
The InChIKey is GTPDRWPEIWCILO-YRWHGZIBSA-N. The full InChI is InChI=1S/C14H23FO6/c1-7-11(19-8(2)16)12(20-9(3)17)10(15)13(18-7)21-14(4,5)6/h7,10-13H,1-6H3/t7-,10-,11+,12-,13-/m0/s1.
What are the key properties of [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate?
[(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate has a molecular weight of 306.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5S,6S)-4-acetyloxy-5-fluoro-2-methyl-6-[(2-methylpropan-2-yl)oxy]oxan-3-yl] acetate is sourced from PubChem (CID 10590753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).