potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

C8H10KO5+ — CID 85469394

IUPACpotassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2.[K+]
InChIInChI=1S/C8H10O5.K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;/h3-6H,1-2H2,(H,9,10)(H,11,12);/q;+1/t3-,4-,5-,6+;/m1./s1
InChIKeySZUKURDUGXAWGR-ILLHIODVSA-N
MW225.26 g/mol
LogP-3.05
Rot. Bonds2

About potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid

potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid (PubChem CID 85469394) has the molecular formula C8H10KO5+ and a molecular weight of 225.26 g/mol. Its IUPAC name is potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid.

Molecular Properties

Compound Namepotassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
PubChem CID85469394
Molecular FormulaC8H10KO5+
Molecular Weight225.26 g/mol
Exact Mass225.02
IUPAC Namepotassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2.[K+]
InChIInChI=1S/C8H10O5.K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;/h3-6H,1-2H2,(H,9,10)(H,11,12);/q;+1/t3-,4-,5-,6+;/m1./s1
InChIKeySZUKURDUGXAWGR-ILLHIODVSA-N
XLogP-3.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 5-3.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The IUPAC name of potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid (CID 85469394) is potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
What is the SMILES notation for potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The canonical SMILES for potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid is O=C(O)[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@H]1O2.[K+].
What is the InChIKey of potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The InChIKey is SZUKURDUGXAWGR-ILLHIODVSA-N. The full InChI is InChI=1S/C8H10O5.K/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12;/h3-6H,1-2H2,(H,9,10)(H,11,12);/q;+1/t3-,4-,5-,6+;/m1./s1.
What are the key properties of potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid has a molecular weight of 225.26 g/mol, XLogP of -3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (1R,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid is sourced from PubChem (CID 85469394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).