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2HR

Summary
Name:HEXYLPHOSPHONIC ACID (R)-2-METHYL-3-PHENYLPROPYL ESTER
Formula:C16 H27 O3 P
Formal charge:0
Formula weight:298.358 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-2-methyl-3-phenylpropyl hydrogen (S)-hexylphosphonate
OpenEye OEToolkits1.5.0hexyl-[(2R)-2-methyl-3-phenyl-propoxy]phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(OCC(Cc1ccccc1)C)CCCCCC
SMILES_CANONICALCACTVS3.341CCCCCC[P@@](O)(=O)OC[C@H](C)Cc1ccccc1
SMILESCACTVS3.341CCCCCC[P](O)(=O)OC[CH](C)Cc1ccccc1
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCCCC[P@@](=O)(O)OC[C@H](C)Cc1ccccc1
SMILESOpenEye OEToolkits1.5.0CCCCCCP(=O)(O)OCC(C)Cc1ccccc1
InChIInChI1.03InChI=1S/C16H27O3P/c1-3-4-5-9-12-20(17,18)19-14-15(2)13-16-10-7-6-8-11-16/h6-8,10-11,15H,3-5,9,12-14H2,1-2H3,(H,17,18)/t15-/m1/s1
InChIKeyInChI1.03MMTDYBZZRYOMFD-OAHLLOKOSA-N

219140

PDB entries from 2024-05-01

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