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PXN

Summary
Name:(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
Synonyms:PENTAERYTHRITOL PROPOXYLATE (5/4 PO/OH)
Formula:C17 H36 O8
Formal charge:0
Formula weight:368.463 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol
OpenEye OEToolkits1.7.0(2R)-1-[3-[(2S)-2-hydroxypropoxy]-2,2-bis[[(2R)-2-hydroxypropoxy]methyl]propoxy]propan-2-ol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O(CC(O)C)CC(COCC(O)C)(COCC(O)C)COCC(O)C
SMILES_CANONICALCACTVS3.370C[C@@H](O)COC[C@](COC[C@H](C)O)(COC[C@@H](C)O)COC[C@@H](C)O
SMILESCACTVS3.370C[CH](O)COC[C](COC[CH](C)O)(COC[CH](C)O)COC[CH](C)O
SMILES_CANONICALOpenEye OEToolkits1.7.0C[C@H](COCC(COC[C@@H](C)O)(COC[C@@H](C)O)COC[C@H](C)O)O
SMILESOpenEye OEToolkits1.7.0CC(COCC(COCC(C)O)(COCC(C)O)COCC(C)O)O
InChIInChI1.03InChI=1S/C17H36O8/c1-13(18)5-22-9-17(10-23-6-14(2)19,11-24-7-15(3)20)12-25-8-16(4)21/h13-16,18-21H,5-12H2,1-4H3/t13-,14-,15-,16+/m1/s1
InChIKeyInChI1.03GXEZGLLPFFKHGE-FPCVCCKLSA-N

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PDB entries from 2024-04-24

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