[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate

C11H16O10 — CID 59560473

IUPAC[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate
SMILESCC(O)C(O)C(O)C(=O)OCC(O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C11H16O10/c1-3(12)5(14)7(16)10(18)20-2-4(13)9-6(15)8(17)11(19)21-9/h3-5,7,9,12-17H,2H2,1H3
InChIKeyLYQYFBPIQQFLAD-UHFFFAOYSA-N
MW308.24 g/mol
LogP-2.75
Rot. Bonds6

About [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate

[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate (PubChem CID 59560473) has the molecular formula C11H16O10 and a molecular weight of 308.24 g/mol. Its IUPAC name is [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate.

Molecular Properties

Compound Name[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate
PubChem CID59560473
Molecular FormulaC11H16O10
Molecular Weight308.24 g/mol
Exact Mass308.07
IUPAC Name[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate
SMILESCC(O)C(O)C(O)C(=O)OCC(O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C11H16O10/c1-3(12)5(14)7(16)10(18)20-2-4(13)9-6(15)8(17)11(19)21-9/h3-5,7,9,12-17H,2H2,1H3
InChIKeyLYQYFBPIQQFLAD-UHFFFAOYSA-N
XLogP-2.75
TPSA173.98 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.24
LogP ≤ 5-2.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate?
The IUPAC name of [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate (CID 59560473) is [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate.
What is the SMILES notation for [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate?
The canonical SMILES for [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate is CC(O)C(O)C(O)C(=O)OCC(O)C1OC(=O)C(O)=C1O.
What is the InChIKey of [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate?
The InChIKey is LYQYFBPIQQFLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O10/c1-3(12)5(14)7(16)10(18)20-2-4(13)9-6(15)8(17)11(19)21-9/h3-5,7,9,12-17H,2H2,1H3.
What are the key properties of [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate?
[2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate has a molecular weight of 308.24 g/mol, XLogP of -2.75, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydroxy-5-oxo-2H-furan-2-yl)-2-hydroxyethyl] 2,3,4-trihydroxypentanoate is sourced from PubChem (CID 59560473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).