[2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate

C11H16O9 — CID 170252905

IUPAC[2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate
SMILESCC(=O)OCC(O)C1OC(=O)C(OCC(O)CO)=C1O
InChIInChI=1S/C11H16O9/c1-5(13)18-4-7(15)9-8(16)10(11(17)20-9)19-3-6(14)2-12/h6-7,9,12,14-16H,2-4H2,1H3
InChIKeyYPBYDVIEKPXDRI-UHFFFAOYSA-N
MW292.24 g/mol
LogP-2.02
Rot. Bonds7

About [2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate

[2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate (PubChem CID 170252905) has the molecular formula C11H16O9 and a molecular weight of 292.24 g/mol. Its IUPAC name is [2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate.

Molecular Properties

Compound Name[2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate
PubChem CID170252905
Molecular FormulaC11H16O9
Molecular Weight292.24 g/mol
Exact Mass292.08
IUPAC Name[2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate
SMILESCC(=O)OCC(O)C1OC(=O)C(OCC(O)CO)=C1O
InChIInChI=1S/C11H16O9/c1-5(13)18-4-7(15)9-8(16)10(11(17)20-9)19-3-6(14)2-12/h6-7,9,12,14-16H,2-4H2,1H3
InChIKeyYPBYDVIEKPXDRI-UHFFFAOYSA-N
XLogP-2.02
TPSA142.75 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 5-2.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate?
The IUPAC name of [2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate (CID 170252905) is [2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate.
What is the SMILES notation for [2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate?
The canonical SMILES for [2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate is CC(=O)OCC(O)C1OC(=O)C(OCC(O)CO)=C1O.
What is the InChIKey of [2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate?
The InChIKey is YPBYDVIEKPXDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O9/c1-5(13)18-4-7(15)9-8(16)10(11(17)20-9)19-3-6(14)2-12/h6-7,9,12,14-16H,2-4H2,1H3.
What are the key properties of [2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate?
[2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate has a molecular weight of 292.24 g/mol, XLogP of -2.02, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2,3-dihydroxypropoxy)-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] acetate is sourced from PubChem (CID 170252905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).