Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

RMN

Summary
Name:(R)-MANDELIC ACID
Formula:C8 H8 O3
Formal charge:0
Formula weight:152.147 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-hydroxy(phenyl)ethanoic acid
OpenEye OEToolkits1.5.0(2R)-2-hydroxy-2-phenyl-ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(O)c1ccccc1
SMILES_CANONICALCACTVS3.341O[C@@H](C(O)=O)c1ccccc1
SMILESCACTVS3.341O[CH](C(O)=O)c1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1ccc(cc1)[C@H](C(=O)O)O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)C(C(=O)O)O
InChIInChI1.03InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)/t7-/m1/s1
InChIKeyInChI1.03IWYDHOAUDWTVEP-SSDOTTSWSA-N

217705

PDB entries from 2024-03-27

PDB statisticsPDBj update infoContact PDBjnumon