5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

C9H12O7 — CID 20605460

IUPAC5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESCOC1C(O)C2OC1C(C(=O)O)C2C(=O)O
InChIInChI=1S/C9H12O7/c1-15-7-4(10)5-2(8(11)12)3(9(13)14)6(7)16-5/h2-7,10H,1H3,(H,11,12)(H,13,14)
InChIKeyWVOOKBIGRRBLTF-UHFFFAOYSA-N
MW232.19 g/mol
LogP-1.46
Rot. Bonds3

About 5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid (PubChem CID 20605460) has the molecular formula C9H12O7 and a molecular weight of 232.19 g/mol. Its IUPAC name is 5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
PubChem CID20605460
Molecular FormulaC9H12O7
Molecular Weight232.19 g/mol
Exact Mass232.06
IUPAC Name5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESCOC1C(O)C2OC1C(C(=O)O)C2C(=O)O
InChIInChI=1S/C9H12O7/c1-15-7-4(10)5-2(8(11)12)3(9(13)14)6(7)16-5/h2-7,10H,1H3,(H,11,12)(H,13,14)
InChIKeyWVOOKBIGRRBLTF-UHFFFAOYSA-N
XLogP-1.46
TPSA113.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The IUPAC name of 5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid (CID 20605460) is 5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
What is the SMILES notation for 5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The canonical SMILES for 5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid is COC1C(O)C2OC1C(C(=O)O)C2C(=O)O.
What is the InChIKey of 5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The InChIKey is WVOOKBIGRRBLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O7/c1-15-7-4(10)5-2(8(11)12)3(9(13)14)6(7)16-5/h2-7,10H,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid has a molecular weight of 232.19 g/mol, XLogP of -1.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methoxy-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid is sourced from PubChem (CID 20605460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).