MRD

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Summary

Name:(4R)-2-METHYLPENTANE-2,4-DIOL
Formula:C6 H14 O2
Formal charge:0
Molecular weight:118.174 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(4R)-2-methylpentane-2,4-diol
OpenEye OEToolkits1.5.0(4R)-2-methylpentane-2,4-diol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04OC(C)CC(O)(C)C
SMILES_CANONICALCACTVS3.341C[C@@H](O)CC(C)(C)O
SMILESCACTVS3.341C[CH](O)CC(C)(C)O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H](CC(C)(C)O)O
SMILESOpenEye OEToolkits1.5.0CC(CC(C)(C)O)O
InChIInChI1.03InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m1/s1
InChIKeyInChI1.03SVTBMSDMJJWYQN-RXMQYKEDSA-N
171313
PDB entries from 2020-11-18