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D33

Summary
Name:1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole
Formula:C8 H13 N2 O6 P
Formal charge:0
Formula weight:264.172 Da
Component type:DNA linking

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-imidazole
OpenEye OEToolkits1.5.0[(2R,3S,5R)-3-hydroxy-5-imidazol-1-yl-oxolan-2-yl]methyl dihydrogen phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OCC2OC(n1cncc1)CC2O
SMILES_CANONICALCACTVS3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2ccnc2
SMILESCACTVS3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccnc2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cn(cn1)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0c1cn(cn1)C2CC(C(O2)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C8H13N2O6P/c11-6-3-8(10-2-1-9-5-10)16-7(6)4-15-17(12,13)14/h1-2,5-8,11H,3-4H2,(H2,12,13,14)/t6-,7+,8+/m0/s1
InChIKeyInChI1.03YJJFDZQLJDAGPJ-XLPZGREQSA-N

223532

数据于2024-08-07公开中

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