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6O9

Summary
Name:(2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
Formula:C12 H24 N O8 P
Formal charge:0
Formula weight:341.295 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate
OpenEye OEToolkits2.0.4[(2~{S})-2-acetyloxy-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-propyl] pentanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NCCOP(=O)(O)OCC(COC(CCCC)=O)OC(=O)C
InChIInChI1.03InChI=1S/C12H24NO8P/c1-3-4-5-12(15)18-8-11(21-10(2)14)9-20-22(16,17)19-7-6-13/h11H,3-9,13H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyInChI1.03PLBNSCVUDWCBFD-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385CCCCC(=O)OC[C@@H](CO[P](O)(=O)OCCN)OC(C)=O
SMILESCACTVS3.385CCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(C)=O
SMILES_CANONICALOpenEye OEToolkits2.0.4CCCCC(=O)OC[C@@H](COP(=O)(O)OCCN)OC(=O)C
SMILESOpenEye OEToolkits2.0.4CCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)C

223166

PDB entries from 2024-07-31

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