2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid

C8H10O5S — CID 170823414

IUPAC2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid
SMILESO=C(O)C(O)C(O)c1csc(CO)c1
InChIInChI=1S/C8H10O5S/c9-2-5-1-4(3-14-5)6(10)7(11)8(12)13/h1,3,6-7,9-11H,2H2,(H,12,13)
InChIKeyBBYRGPCXOTWPHP-UHFFFAOYSA-N
MW218.23 g/mol
LogP-0.28
Rot. Bonds4

About 2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid

2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid (PubChem CID 170823414) has the molecular formula C8H10O5S and a molecular weight of 218.23 g/mol. Its IUPAC name is 2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid
PubChem CID170823414
Molecular FormulaC8H10O5S
Molecular Weight218.23 g/mol
Exact Mass218.02
IUPAC Name2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid
SMILESO=C(O)C(O)C(O)c1csc(CO)c1
InChIInChI=1S/C8H10O5S/c9-2-5-1-4(3-14-5)6(10)7(11)8(12)13/h1,3,6-7,9-11H,2H2,(H,12,13)
InChIKeyBBYRGPCXOTWPHP-UHFFFAOYSA-N
XLogP-0.28
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-bromo-1,2-dihydroxypropyl)thiophen-2-yl]acetic acid
CID 171859834
[4-[dimethylamino(phenyl)methyl]thiophen-2-yl]methanol
CID 135367823
2,3-dihydroxy-3-(3,4,5-trifluorophenyl)propanoic acid
CID 170823796
[4-[(1R)-1-aminopropyl]thiophen-2-yl]methanol
CID 55292824
2-amino-3-hydroxy-3-(5-methylthiophen-3-yl)propanoic acid
CID 130639383
2,3-dihydroxy-3-[4-(2-hydroxyethyl)phenyl]propanoic acid
CID 170823909
3-bromo-5-(2-carboxy-1,2-dihydroxyethyl)benzoic acid
CID 170825091
2,3-dihydroxy-3-[3-(hydroxymethyl)-4-nitrophenyl]propanoic acid
CID 170824666
2-[4-(4-azido-1,2-dihydroxybutyl)thiophen-2-yl]acetic acid
CID 171879317
3-(3,4-dichloro-5-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823794
3-[3-(carboxymethyl)phenyl]-2,3-dihydroxypropanoic acid
CID 170824264
(E)-3-[4-(3-amino-1,2-dihydroxy-3-oxopropyl)thiophen-2-yl]prop-2-enoic acid
CID 171868424

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid (CID 170823414) is 2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid is O=C(O)C(O)C(O)c1csc(CO)c1.
What is the InChIKey of 2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid?
The InChIKey is BBYRGPCXOTWPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5S/c9-2-5-1-4(3-14-5)6(10)7(11)8(12)13/h1,3,6-7,9-11H,2H2,(H,12,13).
What are the key properties of 2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid?
2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid has a molecular weight of 218.23 g/mol, XLogP of -0.28, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-[5-(hydroxymethyl)thiophen-3-yl]propanoic acid is sourced from PubChem (CID 170823414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).