2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate

C10H14O5S — CID 139951831

IUPAC2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate
SMILESO=C(OCC(O)CO)C(O)Cc1cccs1
InChIInChI=1S/C10H14O5S/c11-5-7(12)6-15-10(14)9(13)4-8-2-1-3-16-8/h1-3,7,9,11-13H,4-6H2
InChIKeyLJLBQABOOFGZBM-UHFFFAOYSA-N
MW246.28 g/mol
LogP-0.45
Rot. Bonds6

About 2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate

2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate (PubChem CID 139951831) has the molecular formula C10H14O5S and a molecular weight of 246.28 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate
PubChem CID139951831
Molecular FormulaC10H14O5S
Molecular Weight246.28 g/mol
Exact Mass246.06
IUPAC Name2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate
SMILESO=C(OCC(O)CO)C(O)Cc1cccs1
InChIInChI=1S/C10H14O5S/c11-5-7(12)6-15-10(14)9(13)4-8-2-1-3-16-8/h1-3,7,9,11-13H,4-6H2
InChIKeyLJLBQABOOFGZBM-UHFFFAOYSA-N
XLogP-0.45
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
thiophen-2-ylmethyl 3-amino-2-hydroxypropanoate
CID 66167892
methyl (2S)-2-amino-3-thiophen-2-ylpropanoate
CID 10899351
4-amino-1-thiophen-2-ylbutan-2-ol
CID 71778098
1-chloro-3-thiophen-2-ylpropan-2-ol
CID 82254078
3-thiophen-2-yloxypropane-1,2-diol
CID 13088133
3-methoxy-1-thiophen-2-ylbutan-2-ol
CID 79616428
3-oxo-3-(thiophen-2-ylmethoxy)-2-(thiophen-2-ylmethyl)propanoic acid
CID 175411942
2-amino-N-methyl-3-thiophen-2-ylpropanamide
CID 18343482
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
2-thiophen-2-ylethyl (2R)-2-amino-3-hydroxypropanoate
CID 80751501

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate?
The IUPAC name of 2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate (CID 139951831) is 2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate?
The canonical SMILES for 2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate is O=C(OCC(O)CO)C(O)Cc1cccs1.
What is the InChIKey of 2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate?
The InChIKey is LJLBQABOOFGZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5S/c11-5-7(12)6-15-10(14)9(13)4-8-2-1-3-16-8/h1-3,7,9,11-13H,4-6H2.
What are the key properties of 2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate?
2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate has a molecular weight of 246.28 g/mol, XLogP of -0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 2-hydroxy-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 139951831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).