dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

C8H8K2O5 — CID 76970240

IUPACdipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESO=C([O-])[C@@H]1[C@H](C(=O)[O-])[C@H]2CC[C@@H]1O2.[K+].[K+]
InChIInChI=1S/C8H10O5.2K/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;2*+1/p-2/t3-,4+,5-,6+;;
InChIKeyZPZKADHMBHMAES-PXYBLNDHSA-L
MW262.34 g/mol
LogP-8.71
Rot. Bonds2

About dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate

dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate (PubChem CID 76970240) has the molecular formula C8H8K2O5 and a molecular weight of 262.34 g/mol. Its IUPAC name is dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate.

Molecular Properties

Compound Namedipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
PubChem CID76970240
Molecular FormulaC8H8K2O5
Molecular Weight262.34 g/mol
Exact Mass261.96
IUPAC Namedipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
SMILESO=C([O-])[C@@H]1[C@H](C(=O)[O-])[C@H]2CC[C@@H]1O2.[K+].[K+]
InChIInChI=1S/C8H10O5.2K/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;2*+1/p-2/t3-,4+,5-,6+;;
InChIKeyZPZKADHMBHMAES-PXYBLNDHSA-L
XLogP-8.71
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 5-8.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The IUPAC name of dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate (CID 76970240) is dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate.
What is the SMILES notation for dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The canonical SMILES for dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate is O=C([O-])[C@@H]1[C@H](C(=O)[O-])[C@H]2CC[C@@H]1O2.[K+].[K+].
What is the InChIKey of dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
The InChIKey is ZPZKADHMBHMAES-PXYBLNDHSA-L. The full InChI is InChI=1S/C8H10O5.2K/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;2*+1/p-2/t3-,4+,5-,6+;;.
What are the key properties of dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate?
dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate has a molecular weight of 262.34 g/mol, XLogP of -8.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;(1S,2R,3S,4R)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate is sourced from PubChem (CID 76970240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).