5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid

C8H8O7 — CID 170823605

IUPAC5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)C(O)C(=O)O)o1
InChIInChI=1S/C8H8O7/c9-5(6(10)8(13)14)3-1-2-4(15-3)7(11)12/h1-2,5-6,9-10H,(H,11,12)(H,13,14)
InChIKeyGFSVGIJSWXPWDX-UHFFFAOYSA-N
MW216.14 g/mol
LogP-0.54
Rot. Bonds4

About 5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid

5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid (PubChem CID 170823605) has the molecular formula C8H8O7 and a molecular weight of 216.14 g/mol. Its IUPAC name is 5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid
PubChem CID170823605
Molecular FormulaC8H8O7
Molecular Weight216.14 g/mol
Exact Mass216.03
IUPAC Name5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(C(O)C(O)C(=O)O)o1
InChIInChI=1S/C8H8O7/c9-5(6(10)8(13)14)3-1-2-4(15-3)7(11)12/h1-2,5-6,9-10H,(H,11,12)(H,13,14)
InChIKeyGFSVGIJSWXPWDX-UHFFFAOYSA-N
XLogP-0.54
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid
CID 171867797
5-[(1S)-1-hydroxy-2,2-dimethylpropyl]furan-2-carboxylic acid
CID 170903953
5-(1-hydroxypentyl)furan-2-carboxylic acid
CID 103691557
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-(1-bromoethyl)furan-2-carboxylic acid
CID 174249698
5-[(5-chlorofuran-2-yl)-hydroxymethyl]furan-2-carboxylic acid
CID 106947249
5-(1-hydroxyheptyl)furan-2-carboxylic acid
CID 12718415
5-(1-hydroxy-3-methoxypropyl)furan-2-carboxylic acid
CID 106947351
5-(1-hydroxy-2-thiophen-3-ylethyl)furan-2-carboxylic acid
CID 106947312
5-[furan-2-yl(hydroxy)methyl]furan-2-carboxylic acid
CID 106945911
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
bis(5-carboxyfuran-2-yl)iodanium
CID 139729150

Frequently Asked Questions

What is the IUPAC name of 5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid (CID 170823605) is 5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid is O=C(O)c1ccc(C(O)C(O)C(=O)O)o1.
What is the InChIKey of 5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid?
The InChIKey is GFSVGIJSWXPWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O7/c9-5(6(10)8(13)14)3-1-2-4(15-3)7(11)12/h1-2,5-6,9-10H,(H,11,12)(H,13,14).
What are the key properties of 5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid?
5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid has a molecular weight of 216.14 g/mol, XLogP of -0.54, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-carboxy-1,2-dihydroxyethyl)furan-2-carboxylic acid is sourced from PubChem (CID 170823605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).