2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate

C10H10O7 — CID 157160193

IUPAC2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)O1.O=C1C=CC(O)O1
InChIInChI=1S/C6H6O4.C4H4O3/c1-4(7)9-6-3-2-5(8)10-6;5-3-1-2-4(6)7-3/h2-3,6H,1H3;1-3,5H/t6-;/m1./s1
InChIKeyAMGYTEHYFWXLCT-FYZOBXCZSA-N
MW242.18 g/mol
LogP-0.59
Rot. Bonds1

About 2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate

2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate (PubChem CID 157160193) has the molecular formula C10H10O7 and a molecular weight of 242.18 g/mol. Its IUPAC name is 2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate.

Molecular Properties

Compound Name2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate
PubChem CID157160193
Molecular FormulaC10H10O7
Molecular Weight242.18 g/mol
Exact Mass242.04
IUPAC Name2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)O1.O=C1C=CC(O)O1
InChIInChI=1S/C6H6O4.C4H4O3/c1-4(7)9-6-3-2-5(8)10-6;5-3-1-2-4(6)7-3/h2-3,6H,1H3;1-3,5H/t6-;/m1./s1
InChIKeyAMGYTEHYFWXLCT-FYZOBXCZSA-N
XLogP-0.59
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.18
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate?
The IUPAC name of 2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate (CID 157160193) is 2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate.
What is the SMILES notation for 2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate?
The canonical SMILES for 2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate is CC(=O)O[C@H]1C=CC(=O)O1.O=C1C=CC(O)O1.
What is the InChIKey of 2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate?
The InChIKey is AMGYTEHYFWXLCT-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H6O4.C4H4O3/c1-4(7)9-6-3-2-5(8)10-6;5-3-1-2-4(6)7-3/h2-3,6H,1H3;1-3,5H/t6-;/m1./s1.
What are the key properties of 2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate?
2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate has a molecular weight of 242.18 g/mol, XLogP of -0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2H-furan-5-one;[(2R)-5-oxo-2H-furan-2-yl] acetate is sourced from PubChem (CID 157160193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).