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HI5

Summary
Name:2-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOSPHORANYL)OXY]METHYL}ETHYL BUTYRATE
Formula:C11 H23 O9 P
Formal charge:0
Formula weight:330.269 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R)-3-[(tetrahydroxy-lambda~5~-phosphanyl)oxy]propane-1,2-diyl dibutanoate
OpenEye OEToolkits1.5.0[(2R)-2-butanoyloxy-3-tetrahydroxyphosphoranyloxy-propyl] butanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OCC(OC(=O)CCC)COP(O)(O)(O)O)CCC
SMILES_CANONICALCACTVS3.341CCCC(=O)OC[C@H](CO[P](O)(O)(O)O)OC(=O)CCC
SMILESCACTVS3.341CCCC(=O)OC[CH](CO[P](O)(O)(O)O)OC(=O)CCC
SMILES_CANONICALOpenEye OEToolkits1.5.0CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC
SMILESOpenEye OEToolkits1.5.0CCCC(=O)OCC(COP(O)(O)(O)O)OC(=O)CCC
InChIInChI1.03InChI=1S/C11H23O9P/c1-3-5-10(12)18-7-9(20-11(13)6-4-2)8-19-21(14,15,16)17/h9,14-17H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyInChI1.03YBSWGBVCGAZBHG-SECBINFHSA-N

222415

数据于2024-07-10公开中

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