[(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate

C10H12O5S — CID 135293009

IUPAC[(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate
SMILESO=C(OC[C@@H]1O[C@@H](O)C[C@H]1O)c1cccs1
InChIInChI=1S/C10H12O5S/c11-6-4-9(12)15-7(6)5-14-10(13)8-2-1-3-16-8/h1-3,6-7,9,11-12H,4-5H2/t6-,7+,9-/m1/s1
InChIKeyZUUJYTDGOSGLNS-BKPPORCPSA-N
MW244.27 g/mol
LogP0.37
Rot. Bonds3

About [(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate

[(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate (PubChem CID 135293009) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is [(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name[(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate
PubChem CID135293009
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Name[(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate
SMILESO=C(OC[C@@H]1O[C@@H](O)C[C@H]1O)c1cccs1
InChIInChI=1S/C10H12O5S/c11-6-4-9(12)15-7(6)5-14-10(13)8-2-1-3-16-8/h1-3,6-7,9,11-12H,4-5H2/t6-,7+,9-/m1/s1
InChIKeyZUUJYTDGOSGLNS-BKPPORCPSA-N
XLogP0.37
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate?
The IUPAC name of [(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate (CID 135293009) is [(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate.
What is the SMILES notation for [(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate?
The canonical SMILES for [(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate is O=C(OC[C@@H]1O[C@@H](O)C[C@H]1O)c1cccs1.
What is the InChIKey of [(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate?
The InChIKey is ZUUJYTDGOSGLNS-BKPPORCPSA-N. The full InChI is InChI=1S/C10H12O5S/c11-6-4-9(12)15-7(6)5-14-10(13)8-2-1-3-16-8/h1-3,6-7,9,11-12H,4-5H2/t6-,7+,9-/m1/s1.
What are the key properties of [(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate?
[(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate has a molecular weight of 244.27 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,5R)-3,5-dihydroxyoxolan-2-yl]methyl thiophene-2-carboxylate is sourced from PubChem (CID 135293009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).