[(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate

C11H16O6 — CID 57409273

IUPAC[(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate
SMILESCOC1=CC(=O)O[C@H]([C@@H](O)CCOC(C)=O)C1
InChIInChI=1S/C11H16O6/c1-7(12)16-4-3-9(13)10-5-8(15-2)6-11(14)17-10/h6,9-10,13H,3-5H2,1-2H3/t9-,10-/m0/s1
InChIKeyLQQPRBZJTPLMFL-UWVGGRQHSA-N
MW244.24 g/mol
LogP0.15
Rot. Bonds5

About [(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate

[(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate (PubChem CID 57409273) has the molecular formula C11H16O6 and a molecular weight of 244.24 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate
PubChem CID57409273
Molecular FormulaC11H16O6
Molecular Weight244.24 g/mol
Exact Mass244.09
IUPAC Name[(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate
SMILESCOC1=CC(=O)O[C@H]([C@@H](O)CCOC(C)=O)C1
InChIInChI=1S/C11H16O6/c1-7(12)16-4-3-9(13)10-5-8(15-2)6-11(14)17-10/h6,9-10,13H,3-5H2,1-2H3/t9-,10-/m0/s1
InChIKeyLQQPRBZJTPLMFL-UWVGGRQHSA-N
XLogP0.15
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate?
The IUPAC name of [(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate (CID 57409273) is [(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate.
What is the SMILES notation for [(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate?
The canonical SMILES for [(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate is COC1=CC(=O)O[C@H]([C@@H](O)CCOC(C)=O)C1.
What is the InChIKey of [(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate?
The InChIKey is LQQPRBZJTPLMFL-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H16O6/c1-7(12)16-4-3-9(13)10-5-8(15-2)6-11(14)17-10/h6,9-10,13H,3-5H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate?
[(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate has a molecular weight of 244.24 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxy-3-[(2S)-4-methoxy-6-oxo-2,3-dihydropyran-2-yl]propyl] acetate is sourced from PubChem (CID 57409273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).