This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

Eucomic acid, (-)-

PubChem CID: 23757219

Connections displayed (default: 10).
Loading graph...

Compound Synonyms Eucomic acid, Eucomic acid, (-)-, CHEBI:67353, 60449-48-1, MEGxp0_001157, CHEMBL1801775, SCHEMBL23355983, ACon1_001561, (2r)-2-(p-hydroxybenzyl)malic acid, AKOS040734911, NCGC00180380-01, TS-07865, Q27135811, (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
Topological Polar Surface Area 115.0
Hydrogen Bond Donor Count 4.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 294.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 1.0
Iupac Name (2R)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid
Prediction Hob 1.0
Xlogp 0.1
Molecular Formula C11H12O6
Prediction Swissadme 1.0
Inchi Key XLGKDRSWPCQYAB-LLVKDONJSA-N
Fcsp3 0.2727272727272727
Logs -1.281
Rotatable Bond Count 5.0
Logd 0.099
Compound Name Eucomic acid, (-)-
Prediction Hob Swissadme 1.0
Exact Mass 240.063
Formal Charge 0.0
Monoisotopic Mass 240.063
Hydrogen Bond Acceptor Count 6.0
Molecular Weight 240.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -1.317184670588235
Inchi InChI=1S/C11H12O6/c12-8-3-1-7(2-4-8)5-11(17,10(15)16)6-9(13)14/h1-4,12,17H,5-6H2,(H,13,14)(H,15,16)/t11-/m1/s1
Smiles C1=CC(=CC=C1C[C@@](CC(=O)O)(C(=O)O)O)O
Nring 1.0
Defined Bond Stereocenter Count 0.0