(5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one

C8H6O6 — CID 95562581

IUPAC(5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one
SMILESO=C1C=C[C@@](O)([C@]2(O)C=CC(=O)O2)O1
InChIInChI=1S/C8H6O6/c9-5-1-3-7(11,13-5)8(12)4-2-6(10)14-8/h1-4,11-12H/t7-,8-/m0/s1
InChIKeyAWYJUFKIGVRDKQ-YUMQZZPRSA-N
MW198.13 g/mol
LogP-1.41
Rot. Bonds1

About (5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one

(5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one (PubChem CID 95562581) has the molecular formula C8H6O6 and a molecular weight of 198.13 g/mol. Its IUPAC name is (5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one.

Molecular Properties

Compound Name(5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one
PubChem CID95562581
Molecular FormulaC8H6O6
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name(5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one
SMILESO=C1C=C[C@@](O)([C@]2(O)C=CC(=O)O2)O1
InChIInChI=1S/C8H6O6/c9-5-1-3-7(11,13-5)8(12)4-2-6(10)14-8/h1-4,11-12H/t7-,8-/m0/s1
InChIKeyAWYJUFKIGVRDKQ-YUMQZZPRSA-N
XLogP-1.41
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one?
The IUPAC name of (5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one (CID 95562581) is (5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one.
What is the SMILES notation for (5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one?
The canonical SMILES for (5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one is O=C1C=C[C@@](O)([C@]2(O)C=CC(=O)O2)O1.
What is the InChIKey of (5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one?
The InChIKey is AWYJUFKIGVRDKQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H6O6/c9-5-1-3-7(11,13-5)8(12)4-2-6(10)14-8/h1-4,11-12H/t7-,8-/m0/s1.
What are the key properties of (5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one?
(5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one has a molecular weight of 198.13 g/mol, XLogP of -1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one is sourced from PubChem (CID 95562581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).