(3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one

C8H8O3S — CID 10749978

IUPAC(3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one
SMILESO=C1O[C@H](c2cccs2)C[C@H]1O
InChIInChI=1S/C8H8O3S/c9-5-4-6(11-8(5)10)7-2-1-3-12-7/h1-3,5-6,9H,4H2/t5-,6+/m1/s1
InChIKeyBFCQMZUPUBVTCE-RITPCOANSA-N
MW184.22 g/mol
LogP1.10
Rot. Bonds1

About (3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one

(3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one (PubChem CID 10749978) has the molecular formula C8H8O3S and a molecular weight of 184.22 g/mol. Its IUPAC name is (3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one
PubChem CID10749978
Molecular FormulaC8H8O3S
Molecular Weight184.22 g/mol
Exact Mass184.02
IUPAC Name(3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one
SMILESO=C1O[C@H](c2cccs2)C[C@H]1O
InChIInChI=1S/C8H8O3S/c9-5-4-6(11-8(5)10)7-2-1-3-12-7/h1-3,5-6,9H,4H2/t5-,6+/m1/s1
InChIKeyBFCQMZUPUBVTCE-RITPCOANSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Thiophen-2-yl)oxolane-2-carboxylic acid
CID 18467818
Ethyl 3-hydroxy-3-(thiophen-2-yl)propanoate
CID 11252640
2-(5-Methylthiophen-2-yl)oxolane-2-carboxylic acid
CID 165833913
Apoptosis inducer 15
CID 171364420
(2S,3S,3aR,6aR)-3-hydroxy-2-[(R)-hydroxy(thiophen-2-yl)methyl]-3,3a,6,6a-tetrahydro-2H-furo[3,2-b]furan-5-one
CID 177638868
ethyl (2S)-2-hydroxy-2-thiophen-2-ylacetate
CID 101861377
Ethyl (s)-3-hydroxy-3-(2-thienyl)-propanoate
CID 10397892
Ethyl 2-hydroxy-2-(thiophen-2-yl)acetate
CID 12266229
5-(Thiophen-2-yl)oxolan-2-one
CID 12623861
Methyl thien-2-yl-hydroxyacetate
CID 13682356
2-Ethoxy-3-thiophen-2-ylpropanoic acid
CID 67291367
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-thiophen-2-yloxolane-3,4-diol
CID 67726630

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one?
The IUPAC name of (3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one (CID 10749978) is (3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one.
What is the SMILES notation for (3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one?
The canonical SMILES for (3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one is O=C1O[C@H](c2cccs2)C[C@H]1O.
What is the InChIKey of (3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one?
The InChIKey is BFCQMZUPUBVTCE-RITPCOANSA-N. The full InChI is InChI=1S/C8H8O3S/c9-5-4-6(11-8(5)10)7-2-1-3-12-7/h1-3,5-6,9H,4H2/t5-,6+/m1/s1.
What are the key properties of (3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one?
(3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one has a molecular weight of 184.22 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-hydroxy-5-thiophen-2-yloxolan-2-one is sourced from PubChem (CID 10749978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).