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2DM

Summary
Name:2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE
Formula:C20 H19 O6 P
Formal charge:0
Formula weight:386.335 Da
Component type:DNA LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-hydroxy-3-(pyren-1-ylmethoxy)propyl dihydrogen phosphate
OpenEye OEToolkits1.5.0[(2S)-2-hydroxy-3-(pyren-1-ylmethoxy)propyl] dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC(O)COCc4ccc2ccc1cccc3c1c2c4cc3
SMILES_CANONICALCACTVS3.341O[C@@H](COCc1ccc2ccc3cccc4ccc1c2c34)CO[P](O)(O)=O
SMILESCACTVS3.341O[CH](COCc1ccc2ccc3cccc4ccc1c2c34)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2ccc3ccc(c4c3c2c(c1)cc4)COC[C@@H](COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0c1cc2ccc3ccc(c4c3c2c(c1)cc4)COCC(COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C20H19O6P/c21-17(12-26-27(22,23)24)11-25-10-16-7-6-15-5-4-13-2-1-3-14-8-9-18(16)20(15)19(13)14/h1-9,17,21H,10-12H2,(H2,22,23,24)/t17-/m0/s1
InChIKeyInChI1.03JJGYAQIYOOQCJK-KRWDZBQOSA-N

223532

数据于2024-08-07公开中

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