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

C10H14F2O6 — CID 11482550

IUPAC[(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](C)OC(O)C(F)(F)[C@@H]1OC(C)=O
InChIInChI=1S/C10H14F2O6/c1-4-7(17-5(2)13)8(18-6(3)14)10(11,12)9(15)16-4/h4,7-9,15H,1-3H3/t4-,7+,8+,9?/m0/s1
InChIKeyPKGCHMGWUIHRCT-ZUJAJKCRSA-N
MW268.21 g/mol
LogP0.22
Rot. Bonds2

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

[(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate (PubChem CID 11482550) has the molecular formula C10H14F2O6 and a molecular weight of 268.21 g/mol. Its IUPAC name is [(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate
PubChem CID11482550
Molecular FormulaC10H14F2O6
Molecular Weight268.21 g/mol
Exact Mass268.08
IUPAC Name[(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](C)OC(O)C(F)(F)[C@@H]1OC(C)=O
InChIInChI=1S/C10H14F2O6/c1-4-7(17-5(2)13)8(18-6(3)14)10(11,12)9(15)16-4/h4,7-9,15H,1-3H3/t4-,7+,8+,9?/m0/s1
InChIKeyPKGCHMGWUIHRCT-ZUJAJKCRSA-N
XLogP0.22
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S,4S,6R)-4-acetyloxy-5,5,6-trihydroxy-2-methyloxan-3-yl] acetate
CID 91125579
[(3S,6R)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 129095023
[(3S,4S,6S)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 91104690
[(2S,3S,4S,5R,6R)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 71486314
[(2S,3S,4S,5S)-4-acetyloxy-5-hydroxy-2,6-dimethyloxan-3-yl] acetate
CID 167555032
[(2S,3S,4R,5R)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 10979133
[(3S,4S)-4,5-diacetyloxy-6-hydroxy-2-methyloxan-3-yl] acetate
CID 71121686
[(2R,3S,4S,5R,6R)-4,5-diacetyloxy-6-fluoro-2-methyloxan-3-yl] acetate
CID 124525156
[(2S,3S,4S,5R)-4-acetyloxy-5,6-dihydroxy-2-methyloxan-3-yl] acetate
CID 141213702
[(2S,4S,5R)-5-hydroxy-2,4,6-trimethyloxan-3-yl] acetate
CID 167580238
[(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

Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate?
The IUPAC name of [(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate (CID 11482550) is [(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate.
What is the SMILES notation for [(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate?
The canonical SMILES for [(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate is CC(=O)O[C@@H]1[C@H](C)OC(O)C(F)(F)[C@@H]1OC(C)=O.
What is the InChIKey of [(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate?
The InChIKey is PKGCHMGWUIHRCT-ZUJAJKCRSA-N. The full InChI is InChI=1S/C10H14F2O6/c1-4-7(17-5(2)13)8(18-6(3)14)10(11,12)9(15)16-4/h4,7-9,15H,1-3H3/t4-,7+,8+,9?/m0/s1.
What are the key properties of [(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate?
[(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate has a molecular weight of 268.21 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R)-4-acetyloxy-5,5-difluoro-6-hydroxy-2-methyloxan-3-yl] acetate is sourced from PubChem (CID 11482550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).