2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate

C6H5O5- — CID 162422390

IUPAC2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate
SMILESO=C([O-])C[C@@H]1OC(=O)C=C1O
InChIInChI=1S/C6H6O5/c7-3-1-6(10)11-4(3)2-5(8)9/h1,4,7H,2H2,(H,8,9)/p-1/t4-/m0/s1
InChIKeyVDVHBZFWTAJSMR-BYPYZUCNSA-M
MW157.10 g/mol
LogP-1.51
Rot. Bonds2

About 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate

2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate (PubChem CID 162422390) has the molecular formula C6H5O5- and a molecular weight of 157.10 g/mol. Its IUPAC name is 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate.

Molecular Properties

Compound Name2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate
PubChem CID162422390
Molecular FormulaC6H5O5-
Molecular Weight157.10 g/mol
Exact Mass157.01
IUPAC Name2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate
SMILESO=C([O-])C[C@@H]1OC(=O)C=C1O
InChIInChI=1S/C6H6O5/c7-3-1-6(10)11-4(3)2-5(8)9/h1,4,7H,2H2,(H,8,9)/p-1/t4-/m0/s1
InChIKeyVDVHBZFWTAJSMR-BYPYZUCNSA-M
XLogP-1.51
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate?
The IUPAC name of 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate (CID 162422390) is 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate.
What is the SMILES notation for 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate?
The canonical SMILES for 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate is O=C([O-])C[C@@H]1OC(=O)C=C1O.
What is the InChIKey of 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate?
The InChIKey is VDVHBZFWTAJSMR-BYPYZUCNSA-M. The full InChI is InChI=1S/C6H6O5/c7-3-1-6(10)11-4(3)2-5(8)9/h1,4,7H,2H2,(H,8,9)/p-1/t4-/m0/s1.
What are the key properties of 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate?
2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate has a molecular weight of 157.10 g/mol, XLogP of -1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetate is sourced from PubChem (CID 162422390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).