(2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid

C4H6O4S — CID 10176213

IUPAC(2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1O[C@@H](O)CS1
InChIInChI=1S/C4H6O4S/c5-2-1-9-4(8-2)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-,4-/m1/s1
InChIKeyLOWHAEXKCMFUMV-VVJJHMBFSA-N
MW150.15 g/mol
LogP-0.52
Rot. Bonds1

About (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid

(2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid (PubChem CID 10176213) has the molecular formula C4H6O4S and a molecular weight of 150.15 g/mol. Its IUPAC name is (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid
PubChem CID10176213
Molecular FormulaC4H6O4S
Molecular Weight150.15 g/mol
Exact Mass150.00
IUPAC Name(2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid
SMILESO=C(O)[C@@H]1O[C@@H](O)CS1
InChIInChI=1S/C4H6O4S/c5-2-1-9-4(8-2)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-,4-/m1/s1
InChIKeyLOWHAEXKCMFUMV-VVJJHMBFSA-N
XLogP-0.52
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid?
The IUPAC name of (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid (CID 10176213) is (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid.
What is the SMILES notation for (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid?
The canonical SMILES for (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid is O=C(O)[C@@H]1O[C@@H](O)CS1.
What is the InChIKey of (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid?
The InChIKey is LOWHAEXKCMFUMV-VVJJHMBFSA-N. The full InChI is InChI=1S/C4H6O4S/c5-2-1-9-4(8-2)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-,4-/m1/s1.
What are the key properties of (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid?
(2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid has a molecular weight of 150.15 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylic acid is sourced from PubChem (CID 10176213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).