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

C6H6O5 — CID 71769720

IUPAC2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid
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)/t4-/m0/s1
InChIKeyVDVHBZFWTAJSMR-BYPYZUCNSA-N
MW158.11 g/mol
LogP-0.17
Rot. Bonds2

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

2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid (PubChem CID 71769720) has the molecular formula C6H6O5 and a molecular weight of 158.11 g/mol. Its IUPAC name is 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid
PubChem CID71769720
Molecular FormulaC6H6O5
Molecular Weight158.11 g/mol
Exact Mass158.02
IUPAC Name2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid
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)/t4-/m0/s1
InChIKeyVDVHBZFWTAJSMR-BYPYZUCNSA-N
XLogP-0.17
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid (CID 71769720) is 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid 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]acetic acid?
The InChIKey is VDVHBZFWTAJSMR-BYPYZUCNSA-N. 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)/t4-/m0/s1.
What are the key properties of 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid?
2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid has a molecular weight of 158.11 g/mol, XLogP of -0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-hydroxy-5-oxo-2H-furan-2-yl]acetic acid is sourced from PubChem (CID 71769720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).