5-(hydroxymethyl)furan-2,3-dicarboxylic acid

C7H6O6 — CID 175297211

IUPAC5-(hydroxymethyl)furan-2,3-dicarboxylic acid
SMILESO=C(O)c1cc(CO)oc1C(=O)O
InChIInChI=1S/C7H6O6/c8-2-3-1-4(6(9)10)5(13-3)7(11)12/h1,8H,2H2,(H,9,10)(H,11,12)
InChIKeyJVAZJYDSLJTNMI-UHFFFAOYSA-N
MW186.12 g/mol
LogP0.17
Rot. Bonds3

About 5-(hydroxymethyl)furan-2,3-dicarboxylic acid

5-(hydroxymethyl)furan-2,3-dicarboxylic acid (PubChem CID 175297211) has the molecular formula C7H6O6 and a molecular weight of 186.12 g/mol. Its IUPAC name is 5-(hydroxymethyl)furan-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-(hydroxymethyl)furan-2,3-dicarboxylic acid
PubChem CID175297211
Molecular FormulaC7H6O6
Molecular Weight186.12 g/mol
Exact Mass186.02
IUPAC Name5-(hydroxymethyl)furan-2,3-dicarboxylic acid
SMILESO=C(O)c1cc(CO)oc1C(=O)O
InChIInChI=1S/C7H6O6/c8-2-3-1-4(6(9)10)5(13-3)7(11)12/h1,8H,2H2,(H,9,10)(H,11,12)
InChIKeyJVAZJYDSLJTNMI-UHFFFAOYSA-N
XLogP0.17
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxymethyl-2-furoic acid
CID 80642
4-({[(3-Carboxy-5-methylfuran-2-yl)methyl]sulfanyl}methyl)-5-methylfuran-2-carboxylic acid
CID 677673
alpha-Hydroxy-2-furanacetic acid
CID 86860
3-Methyl-5-(phenoxymethyl)furan-2-carboxylic acid
CID 774802
5-Formyl-2-furancarboxylic Acid
CID 2793719
Furan-2,3-dicarboxylic Acid
CID 819550
Methyl 5-(hydroxymethyl) furan-2-carboxylate
CID 12733589
5-Hydroxymethylfuran-3-carboxylic acid
CID 15422126
4-{[(4-Carboxy-5-methyl(2-furyl))methylthio]methyl}-5-methylfuran-2-carboxylic acid
CID 877361
3-(Hydroxymethyl)-5-methoxy-2-methyl-1-benzofuran-4,7-dione
CID 77050772
Furantetracarboxylic acid
CID 237617
5-(Hydroxymethyl)-2-methylfuran-3-carboxylic acid
CID 9167334

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)furan-2,3-dicarboxylic acid?
The IUPAC name of 5-(hydroxymethyl)furan-2,3-dicarboxylic acid (CID 175297211) is 5-(hydroxymethyl)furan-2,3-dicarboxylic acid.
What is the SMILES notation for 5-(hydroxymethyl)furan-2,3-dicarboxylic acid?
The canonical SMILES for 5-(hydroxymethyl)furan-2,3-dicarboxylic acid is O=C(O)c1cc(CO)oc1C(=O)O.
What is the InChIKey of 5-(hydroxymethyl)furan-2,3-dicarboxylic acid?
The InChIKey is JVAZJYDSLJTNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O6/c8-2-3-1-4(6(9)10)5(13-3)7(11)12/h1,8H,2H2,(H,9,10)(H,11,12).
What are the key properties of 5-(hydroxymethyl)furan-2,3-dicarboxylic acid?
5-(hydroxymethyl)furan-2,3-dicarboxylic acid has a molecular weight of 186.12 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)furan-2,3-dicarboxylic acid is sourced from PubChem (CID 175297211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).