(RS)-mevalonate   

GtoPdb Ligand ID: 3056

Synonyms: DL-mevalonate | DL-mevalonic acid
Comment: (RS)-mevalonate is a mixture of two chiral isoforms, (R)-mevalonate and (S)-mevalonate. Only the (R)-form is biologically active.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 77.76
Molecular weight 148.07
XLogP -0.86
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCCC(CC(=O)O)(O)C
Isomeric SMILES OCCC(CC(=O)O)(O)C
InChI InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
InChI Key KJTLQQUUPVSXIM-UHFFFAOYSA-N
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InChI standard key Download

Molecular structure representations generated using Open Babel