ethane-1,2-diol;furan-2,3-dicarboxylic acid

C8H10O7 — CID 158056617

IUPACethane-1,2-diol;furan-2,3-dicarboxylic acid
SMILESO=C(O)c1ccoc1C(=O)O.OCCO
InChIInChI=1S/C6H4O5.C2H6O2/c7-5(8)3-1-2-11-4(3)6(9)10;3-1-2-4/h1-2H,(H,7,8)(H,9,10);3-4H,1-2H2
InChIKeyFKDBCRVNYOLHRK-UHFFFAOYSA-N
MW218.16 g/mol
LogP-0.35
Rot. Bonds3

About ethane-1,2-diol;furan-2,3-dicarboxylic acid

ethane-1,2-diol;furan-2,3-dicarboxylic acid (PubChem CID 158056617) has the molecular formula C8H10O7 and a molecular weight of 218.16 g/mol. Its IUPAC name is ethane-1,2-diol;furan-2,3-dicarboxylic acid.

Molecular Properties

Compound Nameethane-1,2-diol;furan-2,3-dicarboxylic acid
PubChem CID158056617
Molecular FormulaC8H10O7
Molecular Weight218.16 g/mol
Exact Mass218.04
IUPAC Nameethane-1,2-diol;furan-2,3-dicarboxylic acid
SMILESO=C(O)c1ccoc1C(=O)O.OCCO
InChIInChI=1S/C6H4O5.C2H6O2/c7-5(8)3-1-2-11-4(3)6(9)10;3-1-2-4/h1-2H,(H,7,8)(H,9,10);3-4H,1-2H2
InChIKeyFKDBCRVNYOLHRK-UHFFFAOYSA-N
XLogP-0.35
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;furan-2,3-dicarboxylic acid?
The IUPAC name of ethane-1,2-diol;furan-2,3-dicarboxylic acid (CID 158056617) is ethane-1,2-diol;furan-2,3-dicarboxylic acid.
What is the SMILES notation for ethane-1,2-diol;furan-2,3-dicarboxylic acid?
The canonical SMILES for ethane-1,2-diol;furan-2,3-dicarboxylic acid is O=C(O)c1ccoc1C(=O)O.OCCO.
What is the InChIKey of ethane-1,2-diol;furan-2,3-dicarboxylic acid?
The InChIKey is FKDBCRVNYOLHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O5.C2H6O2/c7-5(8)3-1-2-11-4(3)6(9)10;3-1-2-4/h1-2H,(H,7,8)(H,9,10);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;furan-2,3-dicarboxylic acid?
ethane-1,2-diol;furan-2,3-dicarboxylic acid has a molecular weight of 218.16 g/mol, XLogP of -0.35, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;furan-2,3-dicarboxylic acid is sourced from PubChem (CID 158056617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).