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

C8H6O6 — CID 95562580

IUPAC(5R)-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+
InChIKeyAWYJUFKIGVRDKQ-OCAPTIKFSA-N
MW198.13 g/mol
LogP-1.41
Rot. Bonds1

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

(5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one (PubChem CID 95562580) has the molecular formula C8H6O6 and a molecular weight of 198.13 g/mol. Its IUPAC name is (5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one.

Molecular Properties

Compound Name(5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one
PubChem CID95562580
Molecular FormulaC8H6O6
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name(5R)-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+
InChIKeyAWYJUFKIGVRDKQ-OCAPTIKFSA-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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Related Compounds

5,5-dichlorofuran-2-one
CID 15709253
(5S,6S)-4,7-dioxadispiro[4.0.46.25]dodeca-1,9-diene-3,8-dione
CID 46173847
5,5,6,6-tetramethylpyran-2-one
CID 141046909
(5R)-5-hydroxy-5-(2-phenylethyl)furan-2-one
CID 129363713
2-[(2R)-2-chloro-5-oxofuran-2-yl]acetic acid
CID 25244291
2-(2-bromo-5-oxofuran-2-yl)acetic acid
CID 102268884
5-methyl-5-(2,2,2-trifluoroethyl)furan-2-one
CID 57457743
5-[3-aminopropyl(dimethyl)silyl]-5-methylfuran-2-one
CID 139239439
(5S)-5-methyl-5-[(E)-3-oxo-3-phenylprop-1-enyl]furan-2-one
CID 134958373
6-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 72795950
(3R,4S)-3-ethenyl-5-oxaspiro[3.4]oct-7-en-6-one
CID 102096453
[(2R)-2-bromo-5-oxofuran-2-yl]methyl benzoate
CID 101078741

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one?
The IUPAC name of (5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one (CID 95562580) is (5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one.
What is the SMILES notation for (5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one?
The canonical SMILES for (5R)-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 (5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one?
The InChIKey is AWYJUFKIGVRDKQ-OCAPTIKFSA-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+.
What are the key properties of (5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one?
(5R)-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 (5R)-5-hydroxy-5-[(2S)-2-hydroxy-5-oxofuran-2-yl]furan-2-one is sourced from PubChem (CID 95562580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).