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FFD

概要
表記:(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-O-phosphono-D-erythro-pentitol
組成式:C11 H14 F O6 P
電荷:0
化学式量:292.197 Da
分子種別:DNA LINKING

化合物名

プログラムバージョン表記
ACDLabs10.04(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-O-phosphono-D-erythro-pentitol
OpenEye OEToolkits1.5.0[(2R,3S,5R)-5-(3-fluorophenyl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs10.04O=P(OCC2OC(c1cccc(F)c1)CC2O)(O)O
SMILES_CANONICALCACTVS3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)c2cccc(F)c2
SMILESCACTVS3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)c2cccc(F)c2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)F)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)F)C2CC(C(O2)COP(=O)(O)O)O
InChIInChI1.03InChI=1S/C11H14FO6P/c12-8-3-1-2-7(4-8)10-5-9(13)11(18-10)6-17-19(14,15)16/h1-4,9-11,13H,5-6H2,(H2,14,15,16)/t9-,10+,11+/m0/s1
InChIKeyInChI1.03IUYVDQFSAYHTRM-HBNTYKKESA-N

223532

件を2024-08-07に公開中

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