(3R,4R)-4-hydroxythiolane-3-carboxylic acid

C5H8O3S — CID 96636309

IUPAC(3R,4R)-4-hydroxythiolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CSC[C@@H]1O
InChIInChI=1S/C5H8O3S/c6-4-2-9-1-3(4)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+/m1/s1
InChIKeyZUFHLNMIGNATBE-DMTCNVIQSA-N
MW148.18 g/mol
LogP-0.21
Rot. Bonds1

About (3R,4R)-4-hydroxythiolane-3-carboxylic acid

(3R,4R)-4-hydroxythiolane-3-carboxylic acid (PubChem CID 96636309) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is (3R,4R)-4-hydroxythiolane-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-hydroxythiolane-3-carboxylic acid
PubChem CID96636309
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Name(3R,4R)-4-hydroxythiolane-3-carboxylic acid
SMILESO=C(O)[C@@H]1CSC[C@@H]1O
InChIInChI=1S/C5H8O3S/c6-4-2-9-1-3(4)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+/m1/s1
InChIKeyZUFHLNMIGNATBE-DMTCNVIQSA-N
XLogP-0.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxytetrahydrothiophene-2-carboxylate
CID 9543413
(+)-3-Hydroxytetrahydrothiophene-2-carboxylic acid
CID 9543414
4-Acetylthio-3-hydroxybutanoic acid
CID 89709405
3-(Hydroxymethyl)thiolan-2-one
CID 321534
5-Hydroxythiolane-3-carboxylic acid
CID 154826534
(3S,5R)-5-hydroxythiolane-3-carboxylic acid
CID 154826535
(3S,5S)-5-hydroxythiolane-3-carboxylic acid
CID 154826536
methyl (3S)-3-(1,3-dithiolan-2-yl)-3-hydroxypropanoate
CID 15161677
Tert-butyl 4-hydroxythiolane-3-carboxylate
CID 11195069
3-Hydroxy-4-methoxycarbonyltetrahydrothiophene
CID 11457861
methyl (3R,4R)-4-hydroxythiolane-3-carboxylate
CID 13523909
4-Ethoxythiolane-3-carboxylic acid
CID 18952905

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxythiolane-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-hydroxythiolane-3-carboxylic acid (CID 96636309) is (3R,4R)-4-hydroxythiolane-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-hydroxythiolane-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-hydroxythiolane-3-carboxylic acid is O=C(O)[C@@H]1CSC[C@@H]1O.
What is the InChIKey of (3R,4R)-4-hydroxythiolane-3-carboxylic acid?
The InChIKey is ZUFHLNMIGNATBE-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H8O3S/c6-4-2-9-1-3(4)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4+/m1/s1.
What are the key properties of (3R,4R)-4-hydroxythiolane-3-carboxylic acid?
(3R,4R)-4-hydroxythiolane-3-carboxylic acid has a molecular weight of 148.18 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxythiolane-3-carboxylic acid is sourced from PubChem (CID 96636309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).