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44E

Summary
Name:(2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
Formula:C15 H29 O8 P
Formal charge:0
Formula weight:368.36 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate
OpenEye OEToolkits1.9.2[(2R)-2-hexanoyloxy-3-phosphonooxy-propyl] hexanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OC(COP(=O)(O)O)COC(=O)CCCCC)CCCCC
InChIInChI1.03InChI=1S/C15H29O8P/c1-3-5-7-9-14(16)21-11-13(12-22-24(18,19)20)23-15(17)10-8-6-4-2/h13H,3-12H2,1-2H3,(H2,18,19,20)/t13-/m1/s1
InChIKeyInChI1.03SFZZRGHNPILUOD-CYBMUJFWSA-N
SMILES_CANONICALCACTVS3.385CCCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCC
SMILESCACTVS3.385CCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC(=O)CCCCC
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCC
SMILESOpenEye OEToolkits1.9.2CCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCC

224931

PDB entries from 2024-09-11

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