[(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate

C10H14O6 — CID 161283739

IUPAC[(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1O[C@H](C(C)=O)C[C@H]1OC(C)=O
InChIInChI=1S/C10H14O6/c1-5(11)8-4-9(14-6(2)12)10(16-8)15-7(3)13/h8-10H,4H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyOIBYSWINNAAVQX-IVZWLZJFSA-N
MW230.22 g/mol
LogP0.19
Rot. Bonds3

About [(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate

[(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate (PubChem CID 161283739) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is [(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate.

Molecular Properties

Compound Name[(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate
PubChem CID161283739
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name[(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate
SMILESCC(=O)O[C@@H]1O[C@H](C(C)=O)C[C@H]1OC(C)=O
InChIInChI=1S/C10H14O6/c1-5(11)8-4-9(14-6(2)12)10(16-8)15-7(3)13/h8-10H,4H2,1-3H3/t8-,9+,10+/m0/s1
InChIKeyOIBYSWINNAAVQX-IVZWLZJFSA-N
XLogP0.19
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate?
The IUPAC name of [(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate (CID 161283739) is [(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate.
What is the SMILES notation for [(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate?
The canonical SMILES for [(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate is CC(=O)O[C@@H]1O[C@H](C(C)=O)C[C@H]1OC(C)=O.
What is the InChIKey of [(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate?
The InChIKey is OIBYSWINNAAVQX-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H14O6/c1-5(11)8-4-9(14-6(2)12)10(16-8)15-7(3)13/h8-10H,4H2,1-3H3/t8-,9+,10+/m0/s1.
What are the key properties of [(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate?
[(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate has a molecular weight of 230.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5S)-5-acetyl-2-acetyloxyoxolan-3-yl] acetate is sourced from PubChem (CID 161283739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).